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Organooxygen compounds

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1

6-Pyrrolidin-1-ylpyridine-2-carbaldehyde, 97%, Thermo Scientific™

CAS: 230618-24-3 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.22 MDL Number: MFCD08435859 InChI Key: SZOZYXCTOMKVTL-UHFFFAOYSA-N PubChem CID: 10821162 IUPAC Name: 6-pyrrolidin-1-ylpyridine-2-carbaldehyde SMILES: O=CC1=NC(=CC=C1)N1CCCC1

PubChem CID 10821162
CAS 230618-24-3
Molecular Weight (g/mol) 176.22
MDL Number MFCD08435859
SMILES O=CC1=NC(=CC=C1)N1CCCC1
IUPAC Name 6-pyrrolidin-1-ylpyridine-2-carbaldehyde
InChI Key SZOZYXCTOMKVTL-UHFFFAOYSA-N
Molecular Formula C10H12N2O
2

3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde, 97%, Thermo Scientific™

CAS: 273727-50-7 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD09817468 InChI Key: YUNJEYQSCYYAEF-UHFFFAOYSA-N Synonym: 3-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,benzaldehyde,3-3-methyl-1,2,4-oxadiazol-5-yl,3-3-methyl-1,2,4 oxadiazol-5-yl-benzaldehyde PubChem CID: 18545510 IUPAC Name: 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde SMILES: CC1=NOC(=N1)C1=CC(C=O)=CC=C1

PubChem CID 18545510
CAS 273727-50-7
Molecular Weight (g/mol) 188.19
MDL Number MFCD09817468
SMILES CC1=NOC(=N1)C1=CC(C=O)=CC=C1
Synonym 3-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,benzaldehyde,3-3-methyl-1,2,4-oxadiazol-5-yl,3-3-methyl-1,2,4 oxadiazol-5-yl-benzaldehyde
IUPAC Name 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
InChI Key YUNJEYQSCYYAEF-UHFFFAOYSA-N
Molecular Formula C10H8N2O2
4

3-Amino-1-methyl-1H-pyrazole-4-carbaldehyde, 97%, Thermo Scientific™

CAS: 886851-66-7 Molecular Formula: C5H7N3O Molecular Weight (g/mol): 125.13 MDL Number: MFCD00460466 InChI Key: UGWUYEXHMDPAMR-UHFFFAOYSA-N Synonym: 3-amino-1-methyl-1h-pyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde,3-amino-1-methyl,1h-pyrazole-4-carboxaldehyde, 3-amino-1-methyl,3-amino-1-methyl-1h-pyrazole-4-carboxaldehyde PubChem CID: 18525942 IUPAC Name: 3-amino-1-methylpyrazole-4-carbaldehyde SMILES: CN1C=C(C=O)C(N)=N1

PubChem CID 18525942
CAS 886851-66-7
Molecular Weight (g/mol) 125.13
MDL Number MFCD00460466
SMILES CN1C=C(C=O)C(N)=N1
Synonym 3-amino-1-methyl-1h-pyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde,3-amino-1-methyl,1h-pyrazole-4-carboxaldehyde, 3-amino-1-methyl,3-amino-1-methyl-1h-pyrazole-4-carboxaldehyde
IUPAC Name 3-amino-1-methylpyrazole-4-carbaldehyde
InChI Key UGWUYEXHMDPAMR-UHFFFAOYSA-N
Molecular Formula C5H7N3O
6

3-chlorothiophene-2-carbaldehyde, 90%, Thermo Scientific™

CAS: 67482-48-8 Molecular Formula: C5H3ClOS Molecular Weight (g/mol): 146.588 MDL Number: MFCD01764973 InChI Key: PJOJWMNHMJFFCR-UHFFFAOYSA-N Synonym: 3-chlorothiophene-2-carboxaldehyde,3-chloro-2-thiophenecarboxaldehyde,2-thiophenecarboxaldehyde, 3-chloro,pubchem21836,acmc-1b7xg,2-formyl-3-chlorothiophene,chlorothiophen-2-carbaldehyde,ksc494c6j,3-chloro-2-formylthiohene,3-chloro-thiophene-2-carbaldehyde PubChem CID: 2735825 IUPAC Name: 3-chlorothiophene-2-carbaldehyde SMILES: C1=CSC(=C1Cl)C=O

PubChem CID 2735825
CAS 67482-48-8
Molecular Weight (g/mol) 146.588
MDL Number MFCD01764973
SMILES C1=CSC(=C1Cl)C=O
Synonym 3-chlorothiophene-2-carboxaldehyde,3-chloro-2-thiophenecarboxaldehyde,2-thiophenecarboxaldehyde, 3-chloro,pubchem21836,acmc-1b7xg,2-formyl-3-chlorothiophene,chlorothiophen-2-carbaldehyde,ksc494c6j,3-chloro-2-formylthiohene,3-chloro-thiophene-2-carbaldehyde
IUPAC Name 3-chlorothiophene-2-carbaldehyde
InChI Key PJOJWMNHMJFFCR-UHFFFAOYSA-N
Molecular Formula C5H3ClOS
7

2-Thien-2-ylpyrimidine-5-carbaldehyde, 97%, Thermo Scientific™

CAS: 921939-12-0 Molecular Formula: C9H6N2OS Molecular Weight (g/mol): 190.22 MDL Number: MFCD09817553 InChI Key: DCIBDJAGZUQNKM-UHFFFAOYSA-N Synonym: 2-thiophen-2-yl pyrimidine-5-carbaldehyde,2-thien-2-ylpyrimidine-5-carbaldehyde,2-thien-2-yl pyrimidine-5-carboxaldehyde,2-2-thienyl pyrimidine-5-carbaldehyde,2-thien-2-yl pyrimidine-5-carbaldehyde PubChem CID: 24229730 IUPAC Name: 2-thiophen-2-ylpyrimidine-5-carbaldehyde SMILES: C1=CSC(=C1)C2=NC=C(C=N2)C=O

PubChem CID 24229730
CAS 921939-12-0
Molecular Weight (g/mol) 190.22
MDL Number MFCD09817553
SMILES C1=CSC(=C1)C2=NC=C(C=N2)C=O
Synonym 2-thiophen-2-yl pyrimidine-5-carbaldehyde,2-thien-2-ylpyrimidine-5-carbaldehyde,2-thien-2-yl pyrimidine-5-carboxaldehyde,2-2-thienyl pyrimidine-5-carbaldehyde,2-thien-2-yl pyrimidine-5-carbaldehyde
IUPAC Name 2-thiophen-2-ylpyrimidine-5-carbaldehyde
InChI Key DCIBDJAGZUQNKM-UHFFFAOYSA-N
Molecular Formula C9H6N2OS
8

1-(tert-Butyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde, 97%, Thermo Scientific™

CAS: 647824-51-9 Molecular Formula: C10H16N2O Molecular Weight (g/mol): 180.251 MDL Number: MFCD00120293 InChI Key: WQHXOHHEPNBXMF-UHFFFAOYSA-N Synonym: 1-tert-butyl-3,5-dimethyl-1h-pyrazole-4-carbaldehyde,1-tert-butyl-3,5-dimethyl-1h-pyrazole-4-carboxaldehyde,buttpark 99\12-15,1-tert-butyl-3,5-dimethylpyrazole-4-carbaldehyde,acmc-20ap9c PubChem CID: 2776936 IUPAC Name: 1-tert-butyl-3,5-dimethylpyrazole-4-carbaldehyde SMILES: CC1=C(C(=NN1C(C)(C)C)C)C=O

PubChem CID 2776936
CAS 647824-51-9
Molecular Weight (g/mol) 180.251
MDL Number MFCD00120293
SMILES CC1=C(C(=NN1C(C)(C)C)C)C=O
Synonym 1-tert-butyl-3,5-dimethyl-1h-pyrazole-4-carbaldehyde,1-tert-butyl-3,5-dimethyl-1h-pyrazole-4-carboxaldehyde,buttpark 99\12-15,1-tert-butyl-3,5-dimethylpyrazole-4-carbaldehyde,acmc-20ap9c
IUPAC Name 1-tert-butyl-3,5-dimethylpyrazole-4-carbaldehyde
InChI Key WQHXOHHEPNBXMF-UHFFFAOYSA-N
Molecular Formula C10H16N2O
9

2,3-Dihydro-1-benzofuran-7-carbaldehyde, 97%, Thermo Scientific™

CAS: 196799-45-8 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD06200853 InChI Key: CLXXUGOCVBQNAI-UHFFFAOYSA-N Synonym: 2,3-dihydrobenzofuran-7-carbaldehyde,2,3-dihydrobenzofuran-7-carboxaldehyde,7-benzofurancarboxaldehyde, 2,3-dihydro,2,3-dihydrobenzo b furan-7-carbaldehyde,7-formyl-2,3-dihydrobenzofuran,2,3-dihydobenzo b furan-7-aldehyde,2,3-dihydro-benzofuran-7-carbaldehyde,2,3-dihydro-benzofuran-7-carboxaldehyde,2.3-dihydro-benzofuran-7-carboxaldehyde,2,3-dihydrobenzo b furan-7-carboxaldehyde PubChem CID: 2795018 IUPAC Name: 2,3-dihydro-1-benzofuran-7-carbaldehyde SMILES: C1COC2=C(C=CC=C21)C=O

PubChem CID 2795018
CAS 196799-45-8
Molecular Weight (g/mol) 148.161
MDL Number MFCD06200853
SMILES C1COC2=C(C=CC=C21)C=O
Synonym 2,3-dihydrobenzofuran-7-carbaldehyde,2,3-dihydrobenzofuran-7-carboxaldehyde,7-benzofurancarboxaldehyde, 2,3-dihydro,2,3-dihydrobenzo b furan-7-carbaldehyde,7-formyl-2,3-dihydrobenzofuran,2,3-dihydobenzo b furan-7-aldehyde,2,3-dihydro-benzofuran-7-carbaldehyde,2,3-dihydro-benzofuran-7-carboxaldehyde,2.3-dihydro-benzofuran-7-carboxaldehyde,2,3-dihydrobenzo b furan-7-carboxaldehyde
IUPAC Name 2,3-dihydro-1-benzofuran-7-carbaldehyde
InChI Key CLXXUGOCVBQNAI-UHFFFAOYSA-N
Molecular Formula C9H8O2
10

2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzaldehyde, 97%, Thermo Scientific™

CAS: 898289-61-7 Molecular Formula: C12H9F3N2O Molecular Weight (g/mol): 254.21 MDL Number: MFCD09817510 InChI Key: STBRCNYURIXHAU-UHFFFAOYSA-N Synonym: 2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzaldehyde,2-2-methyl-5-trifluoromethyl pyrazol-3-yl benzaldehyde,2-1-methyl-3-trifluoromethyl pyrazol-5-yl benzaldehyde,2-2-methyl-5-trifluoromethyl-3-pyrazolyl benzaldehyde,5-2-formylphenyl-1-methyl-3-trifluoromethyl-1h-pyrazole,benzaldehyde,2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl PubChem CID: 24229657 IUPAC Name: 2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzaldehyde SMILES: CN1N=C(C=C1C1=CC=CC=C1C=O)C(F)(F)F

PubChem CID 24229657
CAS 898289-61-7
Molecular Weight (g/mol) 254.21
MDL Number MFCD09817510
SMILES CN1N=C(C=C1C1=CC=CC=C1C=O)C(F)(F)F
Synonym 2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl benzaldehyde,2-2-methyl-5-trifluoromethyl pyrazol-3-yl benzaldehyde,2-1-methyl-3-trifluoromethyl pyrazol-5-yl benzaldehyde,2-2-methyl-5-trifluoromethyl-3-pyrazolyl benzaldehyde,5-2-formylphenyl-1-methyl-3-trifluoromethyl-1h-pyrazole,benzaldehyde,2-1-methyl-3-trifluoromethyl-1h-pyrazol-5-yl
IUPAC Name 2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzaldehyde
InChI Key STBRCNYURIXHAU-UHFFFAOYSA-N
Molecular Formula C12H9F3N2O
11

5-Bromo-2,3-dihydrobenzo[b]furan-7-carbaldehyde, 97%, Thermo Scientific™

CAS: 281678-73-7 Molecular Formula: C9H7BrO2 Molecular Weight (g/mol): 227.057 InChI Key: LQCBHNHULMHKFB-UHFFFAOYSA-N Synonym: 5-bromo-2,3-dihydrobenzo b furan-7-carbaldehyde,5-bromo-2,3-dihydrobenzofuran-7-carbaldehyde,5-bromo-2,3-dihydobenzo b furan-7-aldehyde,5-bromo-2,3-dihydrobenzofuran 7-carbaldehyde,5-bromo-2,3-dihydrobenzo b furane-7-carbaldehyde,7-benzofurancarboxaldehyde, 5-bromo-2,3-dihydro PubChem CID: 2794804 IUPAC Name: 5-bromo-2,3-dihydro-1-benzofuran-7-carbaldehyde SMILES: C1COC2=C1C=C(C=C2C=O)Br

PubChem CID 2794804
CAS 281678-73-7
Molecular Weight (g/mol) 227.057
SMILES C1COC2=C1C=C(C=C2C=O)Br
Synonym 5-bromo-2,3-dihydrobenzo b furan-7-carbaldehyde,5-bromo-2,3-dihydrobenzofuran-7-carbaldehyde,5-bromo-2,3-dihydobenzo b furan-7-aldehyde,5-bromo-2,3-dihydrobenzofuran 7-carbaldehyde,5-bromo-2,3-dihydrobenzo b furane-7-carbaldehyde,7-benzofurancarboxaldehyde, 5-bromo-2,3-dihydro
IUPAC Name 5-bromo-2,3-dihydro-1-benzofuran-7-carbaldehyde
InChI Key LQCBHNHULMHKFB-UHFFFAOYSA-N
Molecular Formula C9H7BrO2
12

4-(2-Hydroxyethyl)benzonitrile, Thermo Scientific™

CAS: 69395-13-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 InChI Key: RBSJBNYPTGMZIH-UHFFFAOYSA-N Synonym: 4-2-hydroxyethyl benzonitrile,benzonitrile, 4-2-hydroxyethyl,2-4-cyanophenyl ethanol,2-4-cyanophenyl ethan-1-one,4-2-hydroxyethyl benzenecarbonitrile,4-cyanobenzeneethanol,p-cyanophenethylalcohol,p-cyanophenethyl alcohol,4-cyanophenethyl alcohol,acmc-20a4x6 PubChem CID: 2800815 IUPAC Name: 4-(2-hydroxyethyl)benzonitrile SMILES: C1=CC(=CC=C1CCO)C#N

PubChem CID 2800815
CAS 69395-13-7
Molecular Weight (g/mol) 147.177
SMILES C1=CC(=CC=C1CCO)C#N
Synonym 4-2-hydroxyethyl benzonitrile,benzonitrile, 4-2-hydroxyethyl,2-4-cyanophenyl ethanol,2-4-cyanophenyl ethan-1-one,4-2-hydroxyethyl benzenecarbonitrile,4-cyanobenzeneethanol,p-cyanophenethylalcohol,p-cyanophenethyl alcohol,4-cyanophenethyl alcohol,acmc-20a4x6
IUPAC Name 4-(2-hydroxyethyl)benzonitrile
InChI Key RBSJBNYPTGMZIH-UHFFFAOYSA-N
Molecular Formula C9H9NO
13

2-(1-Adamantyl)propan-2-ol, 97%, Thermo Scientific™

CAS: 775-64-4 Molecular Formula: C13H22O Molecular Weight (g/mol): 194.32 MDL Number: MFCD00167855 InChI Key: WBKAUEBLTWRERU-UHFFFAOYSA-N Synonym: 2-adamantan-1-yl-propan-2-ol,2-1-adamantyl propan-2-ol,2-adamantan-1-yl propan-2-ol,2-1-adamantyl-2-propanol,2-adamantanylpropan-2-ol,pubchem14445,maybridge1_005546,2-1-adamantly-2-propanol,2-1-adamantyl-propan-2-ol PubChem CID: 300814 SMILES: CC(C)(O)C12CC3CC(CC(C3)C1)C2

PubChem CID 300814
CAS 775-64-4
Molecular Weight (g/mol) 194.32
MDL Number MFCD00167855
SMILES CC(C)(O)C12CC3CC(CC(C3)C1)C2
Synonym 2-adamantan-1-yl-propan-2-ol,2-1-adamantyl propan-2-ol,2-adamantan-1-yl propan-2-ol,2-1-adamantyl-2-propanol,2-adamantanylpropan-2-ol,pubchem14445,maybridge1_005546,2-1-adamantly-2-propanol,2-1-adamantyl-propan-2-ol
InChI Key WBKAUEBLTWRERU-UHFFFAOYSA-N
Molecular Formula C13H22O
14

1-Benzothiophen-3-ylmethanol, 97%, Thermo Scientific™

CAS: 5381-24-8 Molecular Formula: C9H8OS Molecular Weight (g/mol): 164.22 MDL Number: MFCD02682007 InChI Key: UYGMKSKKGSUAHB-UHFFFAOYSA-N Synonym: benzo b thiophen-3-ylmethanol,benzo b thiophene-3-methanol,benzothien-3-ylmethanol,benzo,a thiophene-3-methanol,benzo b thiophen-3-yl methanol,1-benzothiophen-3-yl methanol,3-hydroxymethylbenzo b thiophene,benzo b thiophen-3-ylmethan-1-ol,3-hydroxymethyl benzo b thiophene PubChem CID: 2776342 SMILES: OCC1=CSC2=CC=CC=C12

PubChem CID 2776342
CAS 5381-24-8
Molecular Weight (g/mol) 164.22
MDL Number MFCD02682007
SMILES OCC1=CSC2=CC=CC=C12
Synonym benzo b thiophen-3-ylmethanol,benzo b thiophene-3-methanol,benzothien-3-ylmethanol,benzo,a thiophene-3-methanol,benzo b thiophen-3-yl methanol,1-benzothiophen-3-yl methanol,3-hydroxymethylbenzo b thiophene,benzo b thiophen-3-ylmethan-1-ol,3-hydroxymethyl benzo b thiophene
InChI Key UYGMKSKKGSUAHB-UHFFFAOYSA-N
Molecular Formula C9H8OS
15

(5-Bromopyrid-2-yl)methanol, 97%, Thermo Scientific™

CAS: 88139-91-7 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 MDL Number: MFCD04035597 InChI Key: RUCZFWMEACWFER-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxymethylpyridine,2-hydroxymethyl-5-bromopyridine,5-bromopyridin-2-yl methanol,5-bromo-2-hydroxymethyl pyridine,5-bromopyrid-2-yl methanol,5-bromo-2-pyridinemethanol,5-bromo-pyridin-2-yl-methanol,2-pyridinemethanol, 5-bromo,5-bromo-2-pyridyl methan-1-ol,5-bromopyridine-2-methanol PubChem CID: 5200169 IUPAC Name: (5-bromopyridin-2-yl)methanol SMILES: OCC1=CC=C(Br)C=N1

PubChem CID 5200169
CAS 88139-91-7
Molecular Weight (g/mol) 188.02
MDL Number MFCD04035597
SMILES OCC1=CC=C(Br)C=N1
Synonym 5-bromo-2-hydroxymethylpyridine,2-hydroxymethyl-5-bromopyridine,5-bromopyridin-2-yl methanol,5-bromo-2-hydroxymethyl pyridine,5-bromopyrid-2-yl methanol,5-bromo-2-pyridinemethanol,5-bromo-pyridin-2-yl-methanol,2-pyridinemethanol, 5-bromo,5-bromo-2-pyridyl methan-1-ol,5-bromopyridine-2-methanol
IUPAC Name (5-bromopyridin-2-yl)methanol
InChI Key RUCZFWMEACWFER-UHFFFAOYSA-N
Molecular Formula C6H6BrNO