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Vinylogous acids

Organic compounds that contain one or more hydroxyl groups indirectly attached to a carbonyl group via an intervening vinyl functional group (-C=C-; also known as carbon - carbon double bond).

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1

Ethyl (E)-2-cyano-3-ethoxycrotonate, 98%

CAS: 932750-29-3 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.207 MDL Number: MFCD01743485 InChI Key: YKXFOGAYPIPTKF-BQYQJAHWSA-N Synonym: ethyl 2e-2-cyano-3-ethoxybut-2-enoate,ethyl e-2-cyano-3-ethoxycrotonate,ethyl 2-cyano-3-ethoxybut-2-enoate,2-butenoic acid, 2-cyano-3-ethoxy-, ethyl ester,ethyl e-2-cyano-3-ethoxybut-2-enoate,e-ethyl 2-cyano-3-ethoxybut-2-enoate,ethyl e-2-cyano-3-ethoxy-2-butenoate,e-2-cyano-3-ethoxycrotonic acid ethyl ester,e-2-cyano-3-ethoxy-2-butenoic acid ethyl ester PubChem CID: 6387109 IUPAC Name: ethyl (E)-2-cyano-3-ethoxybut-2-enoate SMILES: CCOC(=C(C#N)C(=O)OCC)C

PubChem CID 6387109
CAS 932750-29-3
Molecular Weight (g/mol) 183.207
MDL Number MFCD01743485
SMILES CCOC(=C(C#N)C(=O)OCC)C
Synonym ethyl 2e-2-cyano-3-ethoxybut-2-enoate,ethyl e-2-cyano-3-ethoxycrotonate,ethyl 2-cyano-3-ethoxybut-2-enoate,2-butenoic acid, 2-cyano-3-ethoxy-, ethyl ester,ethyl e-2-cyano-3-ethoxybut-2-enoate,e-ethyl 2-cyano-3-ethoxybut-2-enoate,ethyl e-2-cyano-3-ethoxy-2-butenoate,e-2-cyano-3-ethoxycrotonic acid ethyl ester,e-2-cyano-3-ethoxy-2-butenoic acid ethyl ester
IUPAC Name ethyl (E)-2-cyano-3-ethoxybut-2-enoate
InChI Key YKXFOGAYPIPTKF-BQYQJAHWSA-N
Molecular Formula C9H13NO3
2

Ethyl 3-ethoxyacrylate, 98%

CAS: 1001-26-9 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009863 InChI Key: ITQFPVUDTFABDH-AATRIKPKSA-N Synonym: ethyl 3-ethoxyacrylate,e-ethyl 3-ethoxyacrylate,ethyl 3-ethoxy-2-propenoate,ethyl trans-3-ethoxyacrylate,ethyl .beta.-ethoxyacrylate,3-ethoxyacrylic acid ethyl ester,ethyl 2e-3-ethoxyprop-2-enoate,e-3-ethoxy-acrylic acid ethyl ester,ethyl3-ethoxyacrylate,ethyl 3-ethoxypropenoate PubChem CID: 5366269 IUPAC Name: ethyl (E)-3-ethoxyprop-2-enoate SMILES: CCOC=CC(=O)OCC

PubChem CID 5366269
CAS 1001-26-9
Molecular Weight (g/mol) 144.17
MDL Number MFCD00009863
SMILES CCOC=CC(=O)OCC
Synonym ethyl 3-ethoxyacrylate,e-ethyl 3-ethoxyacrylate,ethyl 3-ethoxy-2-propenoate,ethyl trans-3-ethoxyacrylate,ethyl .beta.-ethoxyacrylate,3-ethoxyacrylic acid ethyl ester,ethyl 2e-3-ethoxyprop-2-enoate,e-3-ethoxy-acrylic acid ethyl ester,ethyl3-ethoxyacrylate,ethyl 3-ethoxypropenoate
IUPAC Name ethyl (E)-3-ethoxyprop-2-enoate
InChI Key ITQFPVUDTFABDH-AATRIKPKSA-N
Molecular Formula C7H12O3
3

Ethyl (ethoxymethylene)cyanoacetate, 98%

CAS: 94-05-3 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00009136 InChI Key: KTMGNAIGXYODKQ-SREVYHEPSA-N Synonym: ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate PubChem CID: 1715183 IUPAC Name: ethyl (E)-2-cyano-3-ethoxyprop-2-enoate SMILES: CCO\C=C(\C#N)C(=O)OCC

PubChem CID 1715183
CAS 94-05-3
Molecular Weight (g/mol) 169.18
MDL Number MFCD00009136
SMILES CCO\C=C(\C#N)C(=O)OCC
Synonym ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate
IUPAC Name ethyl (E)-2-cyano-3-ethoxyprop-2-enoate
InChI Key KTMGNAIGXYODKQ-SREVYHEPSA-N
Molecular Formula C8H11NO3
4

Ethyl (ethoxymethylene)cyanoacetate, 98%

CAS: 94-05-3 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00009136 InChI Key: KTMGNAIGXYODKQ-SREVYHEPSA-N Synonym: ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate PubChem CID: 1715183 SMILES: CCO\C=C(\C#N)C(=O)OCC

PubChem CID 1715183
CAS 94-05-3
Molecular Weight (g/mol) 169.18
MDL Number MFCD00009136
SMILES CCO\C=C(\C#N)C(=O)OCC
Synonym ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate
InChI Key KTMGNAIGXYODKQ-SREVYHEPSA-N
Molecular Formula C8H11NO3
5

Mycophenolate mofetil, 98%

CAS: 128794-94-5 Molecular Formula: C23H31NO7 Molecular Weight (g/mol): 433.5 InChI Key: RTGDFNSFWBGLEC-SYZQJQIISA-N Synonym: mycophenolate mofetil,cellcept,munoloc,myfenax,mycophenolic acid morpholinoethyl ester,tm-mmf,mycophenylate mofetil,mycophenolatemofetil,cellcept tn,unii-9242ecw6r0 PubChem CID: 5281078 ChEBI: CHEBI:8764 IUPAC Name: 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate SMILES: CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC

PubChem CID 5281078
CAS 128794-94-5
Molecular Weight (g/mol) 433.5
ChEBI CHEBI:8764
SMILES CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC
Synonym mycophenolate mofetil,cellcept,munoloc,myfenax,mycophenolic acid morpholinoethyl ester,tm-mmf,mycophenylate mofetil,mycophenolatemofetil,cellcept tn,unii-9242ecw6r0
IUPAC Name 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
InChI Key RTGDFNSFWBGLEC-SYZQJQIISA-N
Molecular Formula C23H31NO7
6

Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 99%, Thermo Scientific™

CAS: 4506-71-2 InChI Key: CDYVTVLXEWMCHU-UHFFFAOYSA-N PubChem CID: 78262 IUPAC Name: ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)N

PubChem CID 78262
CAS 4506-71-2
SMILES CCOC(=O)C1=C(SC2=C1CCCC2)N
IUPAC Name ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
InChI Key CDYVTVLXEWMCHU-UHFFFAOYSA-N
7

Dibenzo[b,e]thiepin-11(6H)-one, 98%, Thermo Scientific™

CAS: 1531-77-7 Molecular Formula: C14H10OS Molecular Weight (g/mol): 226.293 MDL Number: MFCD02093738 InChI Key: JGJDEWXZEIHBNW-UHFFFAOYSA-N Synonym: dibenzo b,e thiepin-11 6h-one,6,11-dihydrodibenzo b,e thiepin-11-one,dibenz b,e thiepin-11 6h-one,6h-benzo c 1 benzothiepin-11-one,1-oxo-6,11-dihydrodibenzo b,e thiepin,dothiepinone,9-thiatricyclo 9.4.0.0 3 ,? pentadeca-1 15 ,3,5,7,11,13-hexaen-2-one,acmc-1buub PubChem CID: 73741 IUPAC Name: 6H-benzo[c][1]benzothiepin-11-one SMILES: C1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1

PubChem CID 73741
CAS 1531-77-7
Molecular Weight (g/mol) 226.293
MDL Number MFCD02093738
SMILES C1C2=CC=CC=C2C(=O)C3=CC=CC=C3S1
Synonym dibenzo b,e thiepin-11 6h-one,6,11-dihydrodibenzo b,e thiepin-11-one,dibenz b,e thiepin-11 6h-one,6h-benzo c 1 benzothiepin-11-one,1-oxo-6,11-dihydrodibenzo b,e thiepin,dothiepinone,9-thiatricyclo 9.4.0.0 3 ,? pentadeca-1 15 ,3,5,7,11,13-hexaen-2-one,acmc-1buub
IUPAC Name 6H-benzo[c][1]benzothiepin-11-one
InChI Key JGJDEWXZEIHBNW-UHFFFAOYSA-N
Molecular Formula C14H10OS
8

Methyl 3-methoxyacrylate, 95%

CAS: 34846-90-7 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.13 MDL Number: MFCD00128206 InChI Key: AUTCCPQKLPMHDN-ONEGZZNKSA-N Synonym: methyl 3-methoxyacrylate,methyl trans-3-methoxyacrylate,methyl 2e-3-methoxyprop-2-enoate,e-methyl 3-methoxyacrylate,3-methoxyacrylic acid methyl ester,methyl-3-methoxyacrylate,2-propenoic acid, 3-methoxy-, methyl ester, 2e,methyl trans-3-methoxy acrylate,e-methyl-3-methoxyacrylate,methyl-trans-3-methoxyacrylate PubChem CID: 5323651 IUPAC Name: methyl (E)-3-methoxyprop-2-enoate SMILES: COC=CC(=O)OC

PubChem CID 5323651
CAS 34846-90-7
Molecular Weight (g/mol) 116.13
MDL Number MFCD00128206
SMILES COC=CC(=O)OC
Synonym methyl 3-methoxyacrylate,methyl trans-3-methoxyacrylate,methyl 2e-3-methoxyprop-2-enoate,e-methyl 3-methoxyacrylate,3-methoxyacrylic acid methyl ester,methyl-3-methoxyacrylate,2-propenoic acid, 3-methoxy-, methyl ester, 2e,methyl trans-3-methoxy acrylate,e-methyl-3-methoxyacrylate,methyl-trans-3-methoxyacrylate
IUPAC Name methyl (E)-3-methoxyprop-2-enoate
InChI Key AUTCCPQKLPMHDN-ONEGZZNKSA-N
Molecular Formula C5H8O3
9

Ethyl 4-bromo-3-ethoxy-2-butenoate, tech. 90%, stab. with sodium carbonate

CAS: 1116-50-3 Molecular Formula: C8H13BrO3 Molecular Weight (g/mol): 237.09 MDL Number: MFCD00051757 InChI Key: FYYMWILFRUUBCX-UHFFFAOYSA-N Synonym: ethyl 4-bromo-3-ethoxybut-2-enoate,ethyl 4-bromo-3-ethoxy-2-butenoate,ethyl 2e-4-bromo-3-ethoxybut-2-enoate,ethyl e-4-bromo-3-ethoxybut-2-enoate PubChem CID: 6376123 SMILES: CCOC(=O)C=C(CBr)OCC

PubChem CID 6376123
CAS 1116-50-3
Molecular Weight (g/mol) 237.09
MDL Number MFCD00051757
SMILES CCOC(=O)C=C(CBr)OCC
Synonym ethyl 4-bromo-3-ethoxybut-2-enoate,ethyl 4-bromo-3-ethoxy-2-butenoate,ethyl 2e-4-bromo-3-ethoxybut-2-enoate,ethyl e-4-bromo-3-ethoxybut-2-enoate
InChI Key FYYMWILFRUUBCX-UHFFFAOYSA-N
Molecular Formula C8H13BrO3