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Carboxylic acids and derivatives

Organic compounds that contain a carboxyl group bonded to an organic functional group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from carboxylic acids.
Monocarboxylic acids and derivatives (350)
Carboxylic acid esters (248)
Carboxylic acid amides (187)
Carboxylic acid salts (87)
Tricarboxylic acids and derivatives (76)
Tetracarboxylic acids and derivatives (70)
Carboxylic acid imides (55)
Carboxylic acid hydrazides (31)
Carboxylic acids (16)
Pentacarboxylic acids and derivatives (14)
Hydrazinecarboxylic acids and derivatives (10)
Fumonisins (3)
Dicarboxylic acids and derivatives (1)

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1

Thermo Scientific Chemicals Ethylenediaminetetraacetic acid, 99%, pure

CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O

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PubChem CID 6049
CAS 60-00-4
Molecular Weight (g/mol) 292.24
ChEBI CHEBI:42191
MDL Number MFCD00003541
SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Synonym edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol
IUPAC Name 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
InChI Key KCXVZYZYPLLWCC-UHFFFAOYSA-N
Molecular Formula C10H16N2O8
2

Citric acid monohydrate, 99+%, ACS reagent

CAS: 5949-29-1 Molecular Formula: C6H8O7·H2O Molecular Weight (g/mol): 210.15 InChI Key: YASYEJJMZJALEJ-UHFFFAOYSA-N Synonym: citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp PubChem CID: 22230 ChEBI: CHEBI:31404 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

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PubChem CID 22230
CAS 5949-29-1
Molecular Weight (g/mol) 210.15
ChEBI CHEBI:31404
SMILES C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
Synonym citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp
IUPAC Name 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
InChI Key YASYEJJMZJALEJ-UHFFFAOYSA-N
Molecular Formula C6H8O7·H2O
3

Sodium formate, 99%

CAS: 141-53-7 Molecular Formula: CHNaO2 Molecular Weight (g/mol): 68.007 MDL Number: MFCD00013101 InChI Key: HLBBKKJFGFRGMU-UHFFFAOYSA-M Synonym: sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744 PubChem CID: 2723810 ChEBI: CHEBI:62965 IUPAC Name: sodium;formate SMILES: C(=O)[O-].[Na+]

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PubChem CID 2723810
CAS 141-53-7
Molecular Weight (g/mol) 68.007
ChEBI CHEBI:62965
MDL Number MFCD00013101
SMILES C(=O)[O-].[Na+]
Synonym sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744
IUPAC Name sodium;formate
InChI Key HLBBKKJFGFRGMU-UHFFFAOYSA-M
Molecular Formula CHNaO2
4

Ethylenebis(oxyethylenenitrilo)tetraacetic acid, 98%

CAS: 67-42-5 Molecular Formula: C14H24N2O10 Molecular Weight (g/mol): 380.34 MDL Number: MFCD00004291 InChI Key: DEFVIWRASFVYLL-UHFFFAOYSA-N Synonym: egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn PubChem CID: 6207 ChEBI: CHEBI:30740 IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid SMILES: C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

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PubChem CID 6207
CAS 67-42-5
Molecular Weight (g/mol) 380.34
ChEBI CHEBI:30740
MDL Number MFCD00004291
SMILES C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Synonym egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn
IUPAC Name 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
InChI Key DEFVIWRASFVYLL-UHFFFAOYSA-N
Molecular Formula C14H24N2O10
5

Triethyl citrate, 99%

CAS: 77-93-0 Molecular Formula: C12H20O7 Molecular Weight (g/mol): 276.29 InChI Key: DOOTYTYQINUNNV-UHFFFAOYSA-N Synonym: triethyl citrate,ethyl citrate,citroflex 2,eudraflex,hydragen cat,citric acid, triethyl ester,triaethylcitrat,triethylcitrate,citric acid triethyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, triethyl ester PubChem CID: 6506 IUPAC Name: triethyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O

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PubChem CID 6506
CAS 77-93-0
Molecular Weight (g/mol) 276.29
SMILES CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O
Synonym triethyl citrate,ethyl citrate,citroflex 2,eudraflex,hydragen cat,citric acid, triethyl ester,triaethylcitrat,triethylcitrate,citric acid triethyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, triethyl ester
IUPAC Name triethyl 2-hydroxypropane-1,2,3-tricarboxylate
InChI Key DOOTYTYQINUNNV-UHFFFAOYSA-N
Molecular Formula C12H20O7
6

Oleamide

CAS: 301-02-0 Molecular Formula: C18H35NO Molecular Weight (g/mol): 281.48 InChI Key: FATBGEAMYMYZAF-MDZDMXLPSA-N IUPAC Name: (9E)-octadec-9-enamide SMILES: CCCCCCCC\C=C\CCCCCCCC(N)=O

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CAS 301-02-0
Molecular Weight (g/mol) 281.48
SMILES CCCCCCCC\C=C\CCCCCCCC(N)=O
IUPAC Name (9E)-octadec-9-enamide
InChI Key FATBGEAMYMYZAF-MDZDMXLPSA-N
Molecular Formula C18H35NO
7

Diethylenetriaminepentaacetic acid, 98+%

CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.34 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

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PubChem CID 3053
CAS 67-43-6
Molecular Weight (g/mol) 393.34
ChEBI CHEBI:35739
SMILES C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
Synonym pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid
IUPAC Name 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
InChI Key QPCDCPDFJACHGM-UHFFFAOYSA-N
Molecular Formula C14H23N3O10
8

Potassium citrate tribasic monohydrate, 99%, extra pure

CAS: 6100-05-6 Molecular Formula: C6H5K3O7·H2O Molecular Weight (g/mol): 324.42 InChI Key: PJAHUDTUZRZBKM-UHFFFAOYSA-K Synonym: potassium citrate monohydrate,tripotassium citrate monohydrate,unii-ee90oni6ff,ee90oni6ff,citric acid tripotassium salt,urocit-k,ccris 6543,tri-potassium citrate monohydrate,potassium citrate tribasic monohydrate,citric acid, tripotassium salt, monohydrate PubChem CID: 2735208 ChEBI: CHEBI:64746 IUPAC Name: tripotassium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[K+].[K+].[K+]

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PubChem CID 2735208
CAS 6100-05-6
Molecular Weight (g/mol) 324.42
ChEBI CHEBI:64746
SMILES C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[K+].[K+].[K+]
Synonym potassium citrate monohydrate,tripotassium citrate monohydrate,unii-ee90oni6ff,ee90oni6ff,citric acid tripotassium salt,urocit-k,ccris 6543,tri-potassium citrate monohydrate,potassium citrate tribasic monohydrate,citric acid, tripotassium salt, monohydrate
IUPAC Name tripotassium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate
InChI Key PJAHUDTUZRZBKM-UHFFFAOYSA-K
Molecular Formula C6H5K3O7·H2O
9

Gluconic acid, sodium salt, 98%

CAS: 527-07-1 Molecular Formula: C6H11NaO7 Molecular Weight (g/mol): 218.137 MDL Number: MFCD00064210 InChI Key: UPMFZISCCZSDND-JJKGCWMISA-M Synonym: sodium gluconate,sodium d-gluconate,d-gluconic acid sodium salt,d-gluconic acid, monosodium salt,gluconic acid sodium salt,monosodium gluconate,glonsen,monosodium d-gluconate,gluconate sodium,pasexon 100t PubChem CID: 23672301 ChEBI: CHEBI:84997 IUPAC Name: sodium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate SMILES: C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Na+]

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PubChem CID 23672301
CAS 527-07-1
Molecular Weight (g/mol) 218.137
ChEBI CHEBI:84997
MDL Number MFCD00064210
SMILES C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Na+]
Synonym sodium gluconate,sodium d-gluconate,d-gluconic acid sodium salt,d-gluconic acid, monosodium salt,gluconic acid sodium salt,monosodium gluconate,glonsen,monosodium d-gluconate,gluconate sodium,pasexon 100t
IUPAC Name sodium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
InChI Key UPMFZISCCZSDND-JJKGCWMISA-M
Molecular Formula C6H11NaO7
10

Citric acid, trisodium salt dihydrate, 99%, pure

CAS: 1545801 Molecular Formula: C6H9Na3O9 Molecular Weight (g/mol): 294.1 MDL Number: MFCD00150031 InChI Key: NLJMYIDDQXHKNR-UHFFFAOYSA-K Synonym: trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate PubChem CID: 71474 ChEBI: CHEBI:32142 IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]

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PubChem CID 71474
CAS 1545801
Molecular Weight (g/mol) 294.1
ChEBI CHEBI:32142
MDL Number MFCD00150031
SMILES C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]
Synonym trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate
IUPAC Name trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate
InChI Key NLJMYIDDQXHKNR-UHFFFAOYSA-K
Molecular Formula C6H9Na3O9
11

Sodium formate, ACS reagent

CAS: 141-53-7 Molecular Formula: CHNaO2 Molecular Weight (g/mol): 68.01 InChI Key: HLBBKKJFGFRGMU-UHFFFAOYSA-M Synonym: sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744 PubChem CID: 2723810 ChEBI: CHEBI:62965 IUPAC Name: sodium;formate SMILES: C(=O)[O-].[Na+]

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PubChem CID 2723810
CAS 141-53-7
Molecular Weight (g/mol) 68.01
ChEBI CHEBI:62965
SMILES C(=O)[O-].[Na+]
Synonym sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744
IUPAC Name sodium;formate
InChI Key HLBBKKJFGFRGMU-UHFFFAOYSA-M
Molecular Formula CHNaO2
12
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Thermo Scientific Chemicals Ethylenediaminetetraacetic acid, disodium salt dihydrate, 99+%, ACS reagent

CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L Synonym: edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs PubChem CID: 44120005 SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O

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PubChem CID 44120005
CAS 6381-92-6
Molecular Weight (g/mol) 372.24
MDL Number MFCD00150037,MFCD00003541
SMILES O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
Synonym edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs
InChI Key OVBJJZOQPCKUOR-UHFFFAOYSA-L
Molecular Formula C10H18N2Na2O10
13

Trimethylacetic acid, 99%

CAS: 75-98-9 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00004194 InChI Key: IUGYQRQAERSCNH-UHFFFAOYSA-N Synonym: pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid PubChem CID: 6417 ChEBI: CHEBI:45133 IUPAC Name: 2,2-dimethylpropanoic acid SMILES: CC(C)(C)C(=O)O

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PubChem CID 6417
CAS 75-98-9
Molecular Weight (g/mol) 102.13
ChEBI CHEBI:45133
MDL Number MFCD00004194
SMILES CC(C)(C)C(=O)O
Synonym pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid
IUPAC Name 2,2-dimethylpropanoic acid
InChI Key IUGYQRQAERSCNH-UHFFFAOYSA-N
Molecular Formula C5H10O2
14

Thermo Scientific Chemicals Sodium benzoate, 99%, for biochemistry

CAS: 532-32-1 Molecular Formula: C7H5NaO2 Molecular Weight (g/mol): 144.11 MDL Number: MFCD00012463 InChI Key: WXMKPNITSTVMEF-UHFFFAOYSA-M Synonym: sodium benzoate,benzoic acid, sodium salt,benzoic acid sodium salt,sobenate,antimol,benzoate sodium,benzoate of soda,benzoate, sodium,natrium benzoicum,caswell no. 746 PubChem CID: 517055 IUPAC Name: sodium;benzoate SMILES: [Na+].[O-]C(=O)C1=CC=CC=C1

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PubChem CID 517055
CAS 532-32-1
Molecular Weight (g/mol) 144.11
MDL Number MFCD00012463
SMILES [Na+].[O-]C(=O)C1=CC=CC=C1
Synonym sodium benzoate,benzoic acid, sodium salt,benzoic acid sodium salt,sobenate,antimol,benzoate sodium,benzoate of soda,benzoate, sodium,natrium benzoicum,caswell no. 746
IUPAC Name sodium;benzoate
InChI Key WXMKPNITSTVMEF-UHFFFAOYSA-M
Molecular Formula C7H5NaO2
15

meso-2,3-Dimercaptosuccinic acid, 98%

CAS: 304-55-2 Molecular Formula: C4H6O4S2 Molecular Weight (g/mol): 182.21 MDL Number: MFCD00064799 InChI Key: ACTRVOBWPAIOHC-XIXRPRMCSA-N Synonym: succimer,meso-2,3-dimercaptosuccinic acid,meso-dimercaptosuccinic acid,dmsa,dim-sa,2r,3s-rel-2,3-dimercaptosuccinic acid,succimero,succimerum,chemet,dimercaptosuccinic acid PubChem CID: 2724354 ChEBI: CHEBI:63623 IUPAC Name: (2S,3R)-2,3-bis(sulfanyl)butanedioic acid SMILES: C(C(C(=O)O)S)(C(=O)O)S

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PubChem CID 2724354
CAS 304-55-2
Molecular Weight (g/mol) 182.21
ChEBI CHEBI:63623
MDL Number MFCD00064799
SMILES C(C(C(=O)O)S)(C(=O)O)S
Synonym succimer,meso-2,3-dimercaptosuccinic acid,meso-dimercaptosuccinic acid,dmsa,dim-sa,2r,3s-rel-2,3-dimercaptosuccinic acid,succimero,succimerum,chemet,dimercaptosuccinic acid
IUPAC Name (2S,3R)-2,3-bis(sulfanyl)butanedioic acid
InChI Key ACTRVOBWPAIOHC-XIXRPRMCSA-N
Molecular Formula C4H6O4S2