
Carboxylic acids and derivatives















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Potassium trimethylacetate, 95%
CAS: 19455-23-3 Molecular Formula: C5H9KO2 Molecular Weight (g/mol): 140.223 MDL Number: MFCD00671345 InChI Key: WFMNHCSATCWAAQ-UHFFFAOYSA-M Synonym: potassium pivalate,potassium trimethylacetate,pivalic acid potassium salt,potassium 2,2-dimethylpropionate,trimethylacetic acid potassium salt,2,2-dimethylpropionic acid potassium salt PubChem CID: 23662159 IUPAC Name: potassium;2,2-dimethylpropanoate SMILES: CC(C)(C)C(=O)[O-].[K+]
PubChem CID | 23662159 |
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CAS | 19455-23-3 |
Molecular Weight (g/mol) | 140.223 |
MDL Number | MFCD00671345 |
SMILES | CC(C)(C)C(=O)[O-].[K+] |
Synonym | potassium pivalate,potassium trimethylacetate,pivalic acid potassium salt,potassium 2,2-dimethylpropionate,trimethylacetic acid potassium salt,2,2-dimethylpropionic acid potassium salt |
IUPAC Name | potassium;2,2-dimethylpropanoate |
InChI Key | WFMNHCSATCWAAQ-UHFFFAOYSA-M |
Molecular Formula | C5H9KO2 |
N-(4-Pentynyl)phthalimide, 97%
CAS: 6097-07-0 Molecular Formula: C13H11NO2 Molecular Weight (g/mol): 213.236 MDL Number: MFCD06798110 InChI Key: YNZIPXLLPFYDGM-UHFFFAOYSA-N Synonym: n-4-pentynyl phthalimide,2-pent-4-ynyl isoindoline-1,3-dione,1-phthalimido-4-pentyne,2-pent-4-yn-1-yl isoindoline-1,3-dione,n-4-pentynyl phthalimide 97,2-pent-4-yn-1-yl isoindole-1,3-dione,5-phthalimido-1-pentyne,2-pent-4-ynyl-isoindole-1,3-dione PubChem CID: 11769822 IUPAC Name: 2-pent-4-ynylisoindole-1,3-dione SMILES: C#CCCCN1C(=O)C2=CC=CC=C2C1=O
PubChem CID | 11769822 |
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CAS | 6097-07-0 |
Molecular Weight (g/mol) | 213.236 |
MDL Number | MFCD06798110 |
SMILES | C#CCCCN1C(=O)C2=CC=CC=C2C1=O |
Synonym | n-4-pentynyl phthalimide,2-pent-4-ynyl isoindoline-1,3-dione,1-phthalimido-4-pentyne,2-pent-4-yn-1-yl isoindoline-1,3-dione,n-4-pentynyl phthalimide 97,2-pent-4-yn-1-yl isoindole-1,3-dione,5-phthalimido-1-pentyne,2-pent-4-ynyl-isoindole-1,3-dione |
IUPAC Name | 2-pent-4-ynylisoindole-1,3-dione |
InChI Key | YNZIPXLLPFYDGM-UHFFFAOYSA-N |
Molecular Formula | C13H11NO2 |
N,N-Dimethylisobutyramide, 99%
CAS: 21678-37-5 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.176 MDL Number: MFCD00075378 InChI Key: GXMIHVHJTLPVKL-UHFFFAOYSA-N Synonym: n,n-dimethylisobutyramide,n,n,2-trimethylpropionamide,n,n-dimethyl-isobutyramide,acmc-20ak9x,n,n-dimethylisobutylamide,isobutyric acid dimethylamide,propanamide, n,n,2-trimethyl,propanamide,n,n,2-trimethyl,n,n-dimethyl2-methylpropionamide PubChem CID: 243415 IUPAC Name: N,N,2-trimethylpropanamide SMILES: CC(C)C(=O)N(C)C
PubChem CID | 243415 |
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CAS | 21678-37-5 |
Molecular Weight (g/mol) | 115.176 |
MDL Number | MFCD00075378 |
SMILES | CC(C)C(=O)N(C)C |
Synonym | n,n-dimethylisobutyramide,n,n,2-trimethylpropionamide,n,n-dimethyl-isobutyramide,acmc-20ak9x,n,n-dimethylisobutylamide,isobutyric acid dimethylamide,propanamide, n,n,2-trimethyl,propanamide,n,n,2-trimethyl,n,n-dimethyl2-methylpropionamide |
IUPAC Name | N,N,2-trimethylpropanamide |
InChI Key | GXMIHVHJTLPVKL-UHFFFAOYSA-N |
Molecular Formula | C6H13NO |
2-Chlorodibenzo[b,f]-1,4-oxazepin-11(10H)-one, 97%
CAS: 3158-91-6 Molecular Formula: C13H8ClNO2 Molecular Weight (g/mol): 245.662 MDL Number: MFCD06658244 InChI Key: ZAGINEPNYIZLLO-UHFFFAOYSA-N Synonym: 2-chlorodibenz b,f 1,4 oxazepin-11 10h-one,2-chlorodibenzo b,f 1,4 oxazepin-11 10h-one,2-chloro-10,11-dihydro-11-oxo-dibenzo b,f 1,4 oxazepine,unii-xtg2e7m36o,xtg2e7m36o,2-chlorodibenzo b,f-1,4-oxazepin-11-one,2-chlorodibenzo b,f-1,4-oxazepin-11 10h-one,dibenz b,f 1,4 oxazepin-11 10h-one, 2-chloro,13-chloro-2-oxa-9-azatricyclo 9.4.0.0 3 ,? pentadeca-1 15 ,3 8 ,4,6,11,13-hexaen-10-one PubChem CID: 13000266 IUPAC Name: 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one SMILES: C1=CC=C2C(=C1)NC(=O)C3=C(O2)C=CC(=C3)Cl
PubChem CID | 13000266 |
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CAS | 3158-91-6 |
Molecular Weight (g/mol) | 245.662 |
MDL Number | MFCD06658244 |
SMILES | C1=CC=C2C(=C1)NC(=O)C3=C(O2)C=CC(=C3)Cl |
Synonym | 2-chlorodibenz b,f 1,4 oxazepin-11 10h-one,2-chlorodibenzo b,f 1,4 oxazepin-11 10h-one,2-chloro-10,11-dihydro-11-oxo-dibenzo b,f 1,4 oxazepine,unii-xtg2e7m36o,xtg2e7m36o,2-chlorodibenzo b,f-1,4-oxazepin-11-one,2-chlorodibenzo b,f-1,4-oxazepin-11 10h-one,dibenz b,f 1,4 oxazepin-11 10h-one, 2-chloro,13-chloro-2-oxa-9-azatricyclo 9.4.0.0 3 ,? pentadeca-1 15 ,3 8 ,4,6,11,13-hexaen-10-one |
IUPAC Name | 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one |
InChI Key | ZAGINEPNYIZLLO-UHFFFAOYSA-N |
Molecular Formula | C13H8ClNO2 |
2-(3-Pyridyl)benzimidazole-6-carboxylic acid, 97%
CAS: 312496-16-5 Molecular Formula: C13H9N3O2 Molecular Weight (g/mol): 239.234 MDL Number: MFCD01414693 InChI Key: DHRPCXYIVJXXJR-UHFFFAOYSA-N Synonym: 1h-benzimidazole-6-carboxylicacid, 2-3-pyridinyl,2-pyridin-3-yl-3h-1,3-benzodiazole-5-carboxylic acid,2-pyridin-3-yl-3h-benzoimidazole-5-carboxylic acid,2-3-pyridyl benzimidazole-6-carboxylic acid,6-carboxy-2-pyridin-3-yl-1h-benzimidazole,2-pyridin-3-yl-1h-benzoimidazole-5-carboxylic acid,2-3-pyridinyl-1h-benzoimidazole-5-carboxylic acid,2-pyridin-3-yl-1h-benzimidazole-5-carboxylic acid,2-pyridin-3-yl-3h-benzimidazole-5-carboxylic acid PubChem CID: 2771805 IUPAC Name: 2-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid SMILES: C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O
PubChem CID | 2771805 |
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CAS | 312496-16-5 |
Molecular Weight (g/mol) | 239.234 |
MDL Number | MFCD01414693 |
SMILES | C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O |
Synonym | 1h-benzimidazole-6-carboxylicacid, 2-3-pyridinyl,2-pyridin-3-yl-3h-1,3-benzodiazole-5-carboxylic acid,2-pyridin-3-yl-3h-benzoimidazole-5-carboxylic acid,2-3-pyridyl benzimidazole-6-carboxylic acid,6-carboxy-2-pyridin-3-yl-1h-benzimidazole,2-pyridin-3-yl-1h-benzoimidazole-5-carboxylic acid,2-3-pyridinyl-1h-benzoimidazole-5-carboxylic acid,2-pyridin-3-yl-1h-benzimidazole-5-carboxylic acid,2-pyridin-3-yl-3h-benzimidazole-5-carboxylic acid |
IUPAC Name | 2-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid |
InChI Key | DHRPCXYIVJXXJR-UHFFFAOYSA-N |
Molecular Formula | C13H9N3O2 |
1-Acetyl-5-bromoindole, 97%, Thermo Scientific Chemicals
CAS: 61995-52-6 Molecular Formula: C10H8BrNO Molecular Weight (g/mol): 238.084 MDL Number: MFCD00238530 InChI Key: BOMKWHSZGCMFEG-UHFFFAOYSA-N Synonym: 1-acetyl-5-bromoindole,1-acetyl-5-bromo-1h-indole,1-5-bromo-1h-indol-1-yl ethanone,1-5-bromoindol-1-yl ethanone,1-5-bromo-1h-indol-1-yl ethan-1-one,ethanone, 1-5-bromo-1h-indol-1-yl PubChem CID: 12318076 IUPAC Name: 1-(5-bromoindol-1-yl)ethanone SMILES: CC(=O)N1C=CC2=C1C=CC(=C2)Br
PubChem CID | 12318076 |
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CAS | 61995-52-6 |
Molecular Weight (g/mol) | 238.084 |
MDL Number | MFCD00238530 |
SMILES | CC(=O)N1C=CC2=C1C=CC(=C2)Br |
Synonym | 1-acetyl-5-bromoindole,1-acetyl-5-bromo-1h-indole,1-5-bromo-1h-indol-1-yl ethanone,1-5-bromoindol-1-yl ethanone,1-5-bromo-1h-indol-1-yl ethan-1-one,ethanone, 1-5-bromo-1h-indol-1-yl |
IUPAC Name | 1-(5-bromoindol-1-yl)ethanone |
InChI Key | BOMKWHSZGCMFEG-UHFFFAOYSA-N |
Molecular Formula | C10H8BrNO |
2,4-Thiazolidinedione, 99%
CAS: 2295-31-0 Molecular Formula: C3H3NO2S Molecular Weight (g/mol): 117.12 MDL Number: MFCD00005478 InChI Key: ZOBPZXTWZATXDG-UHFFFAOYSA-N Synonym: 2,4-thiazolidinedione,thiazolidinedione,thiazolidine-2,4-dione,2,4-dioxothiazolidine,2,4 3h,5h-thiazoledione,usaf ek-5496,thiazolidindione,unii-aa68lxk93c,2,4 thiazolidinedione,thiazolidinedione-2,4 PubChem CID: 5437 ChEBI: CHEBI:50992 IUPAC Name: 1,3-thiazolidine-2,4-dione SMILES: C1C(=O)NC(=O)S1
PubChem CID | 5437 |
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CAS | 2295-31-0 |
Molecular Weight (g/mol) | 117.12 |
ChEBI | CHEBI:50992 |
MDL Number | MFCD00005478 |
SMILES | C1C(=O)NC(=O)S1 |
Synonym | 2,4-thiazolidinedione,thiazolidinedione,thiazolidine-2,4-dione,2,4-dioxothiazolidine,2,4 3h,5h-thiazoledione,usaf ek-5496,thiazolidindione,unii-aa68lxk93c,2,4 thiazolidinedione,thiazolidinedione-2,4 |
IUPAC Name | 1,3-thiazolidine-2,4-dione |
InChI Key | ZOBPZXTWZATXDG-UHFFFAOYSA-N |
Molecular Formula | C3H3NO2S |
trans-Ethyl crotonate, 96%
CAS: 623-70-1 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00009289 InChI Key: ZFDIRQKJPRINOQ-HWKANZROSA-N Synonym: ethyl crotonate,ethyl trans-crotonate,ethyl e-but-2-enoate,ethyl trans-2-butenoate,crotonic acid, ethyl ester,2-butenoic acid, ethyl ester, 2e,ethyl e-2-butenoate,2-butenoic acid, ethyl ester,ethyl 2e-but-2-enoate,crotonic acid, ethyl ester, e PubChem CID: 429065 IUPAC Name: ethyl (E)-but-2-enoate SMILES: CCOC(=O)\C=C\C
PubChem CID | 429065 |
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CAS | 623-70-1 |
Molecular Weight (g/mol) | 114.14 |
MDL Number | MFCD00009289 |
SMILES | CCOC(=O)\C=C\C |
Synonym | ethyl crotonate,ethyl trans-crotonate,ethyl e-but-2-enoate,ethyl trans-2-butenoate,crotonic acid, ethyl ester,2-butenoic acid, ethyl ester, 2e,ethyl e-2-butenoate,2-butenoic acid, ethyl ester,ethyl 2e-but-2-enoate,crotonic acid, ethyl ester, e |
IUPAC Name | ethyl (E)-but-2-enoate |
InChI Key | ZFDIRQKJPRINOQ-HWKANZROSA-N |
Molecular Formula | C6H10O2 |
Ethyl cyanoacetate, 98+%
CAS: 105-56-6 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.12 MDL Number: MFCD00001940 InChI Key: ZIUSEGSNTOUIPT-UHFFFAOYSA-N Synonym: ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate PubChem CID: 7764 IUPAC Name: ethyl 2-cyanoacetate SMILES: CCOC(=O)CC#N
PubChem CID | 7764 |
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CAS | 105-56-6 |
Molecular Weight (g/mol) | 113.12 |
MDL Number | MFCD00001940 |
SMILES | CCOC(=O)CC#N |
Synonym | ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate |
IUPAC Name | ethyl 2-cyanoacetate |
InChI Key | ZIUSEGSNTOUIPT-UHFFFAOYSA-N |
Molecular Formula | C5H7NO2 |
Oxindole, 97%, pure
CAS: 59-48-3 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005711 InChI Key: JYGFTBXVXVMTGB-UHFFFAOYSA-N Synonym: oxindole,indolin-2-one,2-oxindole,2-indolinone,1,3-dihydro-2h-indol-2-one,oxindol,2-oxoindoline,2-oxindoline,indol-2 3h-one,2h-indol-2-one, 1,3-dihydro PubChem CID: 321710 ChEBI: CHEBI:31697 IUPAC Name: 1,3-dihydroindol-2-one SMILES: C1C2=CC=CC=C2NC1=O
PubChem CID | 321710 |
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CAS | 59-48-3 |
Molecular Weight (g/mol) | 133.15 |
ChEBI | CHEBI:31697 |
MDL Number | MFCD00005711 |
SMILES | C1C2=CC=CC=C2NC1=O |
Synonym | oxindole,indolin-2-one,2-oxindole,2-indolinone,1,3-dihydro-2h-indol-2-one,oxindol,2-oxoindoline,2-oxindoline,indol-2 3h-one,2h-indol-2-one, 1,3-dihydro |
IUPAC Name | 1,3-dihydroindol-2-one |
InChI Key | JYGFTBXVXVMTGB-UHFFFAOYSA-N |
Molecular Formula | C8H7NO |
Acethydrazide, 95%
CAS: 1068-57-1 Molecular Formula: C2H6N2O Molecular Weight (g/mol): 74.08 MDL Number: MFCD00007610 InChI Key: OFLXLNCGODUUOT-UHFFFAOYSA-N Synonym: acethydrazide,acetylhydrazine,acetic hydrazide,acetic acid hydrazide,acetyl hydrazide,monoacetylhydrazine,n-acetylhydrazine,ethanehydrazonic acid,acetic acid, hydrazide,acetyl hydrazine PubChem CID: 14039 ChEBI: CHEBI:48978 IUPAC Name: acetohydrazide SMILES: CC(=O)NN
PubChem CID | 14039 |
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CAS | 1068-57-1 |
Molecular Weight (g/mol) | 74.08 |
ChEBI | CHEBI:48978 |
MDL Number | MFCD00007610 |
SMILES | CC(=O)NN |
Synonym | acethydrazide,acetylhydrazine,acetic hydrazide,acetic acid hydrazide,acetyl hydrazide,monoacetylhydrazine,n-acetylhydrazine,ethanehydrazonic acid,acetic acid, hydrazide,acetyl hydrazine |
IUPAC Name | acetohydrazide |
InChI Key | OFLXLNCGODUUOT-UHFFFAOYSA-N |
Molecular Formula | C2H6N2O |
Isobutyl isobutyrate, 98%
CAS: 97-85-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00008916 InChI Key: RXGUIWHIADMCFC-UHFFFAOYSA-N Synonym: isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate PubChem CID: 7351 IUPAC Name: 2-methylpropyl 2-methylpropanoate SMILES: CC(C)COC(=O)C(C)C
PubChem CID | 7351 |
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CAS | 97-85-8 |
Molecular Weight (g/mol) | 144.21 |
MDL Number | MFCD00008916 |
SMILES | CC(C)COC(=O)C(C)C |
Synonym | isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate |
IUPAC Name | 2-methylpropyl 2-methylpropanoate |
InChI Key | RXGUIWHIADMCFC-UHFFFAOYSA-N |
Molecular Formula | C8H16O2 |
3-Indoxyl acetate, 97%
CAS: 608-08-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00014561 InChI Key: JBOPQACSHPPKEP-UHFFFAOYSA-N Synonym: 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester PubChem CID: 11841 IUPAC Name: 1H-indol-3-yl acetate SMILES: CC(=O)OC1=CNC2=CC=CC=C21
PubChem CID | 11841 |
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CAS | 608-08-2 |
Molecular Weight (g/mol) | 175.187 |
MDL Number | MFCD00014561 |
SMILES | CC(=O)OC1=CNC2=CC=CC=C21 |
Synonym | 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester |
IUPAC Name | 1H-indol-3-yl acetate |
InChI Key | JBOPQACSHPPKEP-UHFFFAOYSA-N |
Molecular Formula | C10H9NO2 |
4-Ethoxybenzhydrazide, 98+%
CAS: 58586-81-5 Molecular Formula: C9H12N2O2 Molecular Weight (g/mol): 180.207 MDL Number: MFCD00017074 InChI Key: STTILZBQLOSDNQ-UHFFFAOYSA-N Synonym: 4-ethoxybenzhydrazide,p-ethoxy benzhydrazide,4-ethoxybenzenecarbohydrazide,acmc-20amjf,4etophcon2,#,4-ethoxybenzoic acid, hydrazide,benzoic acid,4-ethoxy-, hydrazide PubChem CID: 143561 IUPAC Name: 4-ethoxybenzohydrazide SMILES: CCOC1=CC=C(C=C1)C(=O)NN
PubChem CID | 143561 |
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CAS | 58586-81-5 |
Molecular Weight (g/mol) | 180.207 |
MDL Number | MFCD00017074 |
SMILES | CCOC1=CC=C(C=C1)C(=O)NN |
Synonym | 4-ethoxybenzhydrazide,p-ethoxy benzhydrazide,4-ethoxybenzenecarbohydrazide,acmc-20amjf,4etophcon2,#,4-ethoxybenzoic acid, hydrazide,benzoic acid,4-ethoxy-, hydrazide |
IUPAC Name | 4-ethoxybenzohydrazide |
InChI Key | STTILZBQLOSDNQ-UHFFFAOYSA-N |
Molecular Formula | C9H12N2O2 |
Benzo[b]thiophene-3-acetic acid, 98+%
CAS: 1131-09-5 Molecular Formula: C10H8O2S Molecular Weight (g/mol): 192.232 MDL Number: MFCD00051637 InChI Key: VFZQJKXVHYZXMM-UHFFFAOYSA-N Synonym: benzo b thiophene-3-acetic acid,benzo b thiophen-3-yl acetic acid,3-benzo b thienylacetic acid,acetic acid, 3-benzo b thienyl,2-benzo b thiophen-3-yl acetic acid,2-benzo b thiophen-3-ylacetic acid,benzothiophene-3-acetic acid,2-1-benzothiophen-3-yl acetic acid,3-benzo b thiopheneacetic acid PubChem CID: 70799 IUPAC Name: 2-(1-benzothiophen-3-yl)acetic acid SMILES: C1=CC=C2C(=C1)C(=CS2)CC(=O)O
PubChem CID | 70799 |
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CAS | 1131-09-5 |
Molecular Weight (g/mol) | 192.232 |
MDL Number | MFCD00051637 |
SMILES | C1=CC=C2C(=C1)C(=CS2)CC(=O)O |
Synonym | benzo b thiophene-3-acetic acid,benzo b thiophen-3-yl acetic acid,3-benzo b thienylacetic acid,acetic acid, 3-benzo b thienyl,2-benzo b thiophen-3-yl acetic acid,2-benzo b thiophen-3-ylacetic acid,benzothiophene-3-acetic acid,2-1-benzothiophen-3-yl acetic acid,3-benzo b thiopheneacetic acid |
IUPAC Name | 2-(1-benzothiophen-3-yl)acetic acid |
InChI Key | VFZQJKXVHYZXMM-UHFFFAOYSA-N |
Molecular Formula | C10H8O2S |