
Carboxylic acids and derivatives















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3-Pyrazolidinone hydrochloride, 98%
CAS: 1752-88-1 Molecular Formula: C3H7ClN2O Molecular Weight (g/mol): 122.55 MDL Number: MFCD00043787 InChI Key: HAYWTXQRYXYRAF-UHFFFAOYSA-N Synonym: 3-pyrazolidinone hydrochloride,pyrazolidin-3-one hydrochloride,4,5-dihydro-1h-pyrazol-3-ol hydrochloride,3-pyrazolidinone, monohydrochloride,tetrahydro-3h-pyrazol-3-one hydrochloride,3-pyrazolidinone hcl,3-pyrazolidone hydrochloride,ksc493k0l,pyrazolidin-3-on-hydrochloride,pyrazolidin-3-one hydrogen chloride PubChem CID: 2733712 SMILES: [H+].[Cl-].O=C1CCNN1
PubChem CID | 2733712 |
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CAS | 1752-88-1 |
Molecular Weight (g/mol) | 122.55 |
MDL Number | MFCD00043787 |
SMILES | [H+].[Cl-].O=C1CCNN1 |
Synonym | 3-pyrazolidinone hydrochloride,pyrazolidin-3-one hydrochloride,4,5-dihydro-1h-pyrazol-3-ol hydrochloride,3-pyrazolidinone, monohydrochloride,tetrahydro-3h-pyrazol-3-one hydrochloride,3-pyrazolidinone hcl,3-pyrazolidone hydrochloride,ksc493k0l,pyrazolidin-3-on-hydrochloride,pyrazolidin-3-one hydrogen chloride |
InChI Key | HAYWTXQRYXYRAF-UHFFFAOYSA-N |
Molecular Formula | C3H7ClN2O |
3-(4-Pyridyl)acrylic acid, 97%, Thermo Scientific™
CAS: 5337-79-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00040746 InChI Key: SSAYTINUCCRGDR-OWOJBTEDSA-N Synonym: 3-4-pyridyl acrylic acid,trans-3-4-pyridyl acrylic acid,3-pyridin-4-yl-acrylic acid,4-pyridineacrylic acid,e-3-pyridin-4-yl acrylic acid,3-pyridin-4-yl acrylic acid,2e-3-pyridin-4-ylacrylic acid,3-4-pyridine acrylic acid,2e-3-pyridin-4-yl prop-2-enoic acid,e-3-pyridin-4-yl-acrylic acid PubChem CID: 736782 IUPAC Name: (E)-3-pyridin-4-ylprop-2-enoic acid SMILES: C1=CN=CC=C1C=CC(=O)O
PubChem CID | 736782 |
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CAS | 5337-79-1 |
Molecular Weight (g/mol) | 149.15 |
MDL Number | MFCD00040746 |
SMILES | C1=CN=CC=C1C=CC(=O)O |
Synonym | 3-4-pyridyl acrylic acid,trans-3-4-pyridyl acrylic acid,3-pyridin-4-yl-acrylic acid,4-pyridineacrylic acid,e-3-pyridin-4-yl acrylic acid,3-pyridin-4-yl acrylic acid,2e-3-pyridin-4-ylacrylic acid,3-4-pyridine acrylic acid,2e-3-pyridin-4-yl prop-2-enoic acid,e-3-pyridin-4-yl-acrylic acid |
IUPAC Name | (E)-3-pyridin-4-ylprop-2-enoic acid |
InChI Key | SSAYTINUCCRGDR-OWOJBTEDSA-N |
Molecular Formula | C8H7NO2 |
4-Chloro-5-nitrophthalimide, 95%, Thermo Scientific™
CAS: 6015-57-2 Molecular Formula: C8H3ClN2O4 Molecular Weight (g/mol): 226.572 MDL Number: MFCD00052331 InChI Key: ADLVDYMTBOSDFE-UHFFFAOYSA-N PubChem CID: 2801129 IUPAC Name: 5-chloro-6-nitroisoindole-1,3-dione SMILES: C1=C2C(=CC(=C1[N+](=O)[O-])Cl)C(=O)NC2=O
PubChem CID | 2801129 |
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CAS | 6015-57-2 |
Molecular Weight (g/mol) | 226.572 |
MDL Number | MFCD00052331 |
SMILES | C1=C2C(=CC(=C1[N+](=O)[O-])Cl)C(=O)NC2=O |
IUPAC Name | 5-chloro-6-nitroisoindole-1,3-dione |
InChI Key | ADLVDYMTBOSDFE-UHFFFAOYSA-N |
Molecular Formula | C8H3ClN2O4 |
Methyl 4,4,4-trifluorocrotonate, 97%
CAS: 85694-31-1 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.09 MDL Number: MFCD00077567 InChI Key: DMMZYYLXAGRBDO-NSCUHMNNSA-N Synonym: methyl 4,4,4-trifluorocrotonate,methyl 2e-4,4,4-trifluorobut-2-enoate,methyl4,4,4-trifluorocrotonate,methyl e-3-trifluoromethyl propenoate,e-methyl 4,4,4-trifluorobut-2-enoate,methyl 4,4,4-trifluorobut-2-enoate,heddpndiaicichibemultbb`,methyl 4,4,4-trifluorocrotonat,methyl e-4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid methyl ester PubChem CID: 5371282 IUPAC Name: methyl (E)-4,4,4-trifluorobut-2-enoate SMILES: COC(=O)\C=C\C(F)(F)F
PubChem CID | 5371282 |
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CAS | 85694-31-1 |
Molecular Weight (g/mol) | 154.09 |
MDL Number | MFCD00077567 |
SMILES | COC(=O)\C=C\C(F)(F)F |
Synonym | methyl 4,4,4-trifluorocrotonate,methyl 2e-4,4,4-trifluorobut-2-enoate,methyl4,4,4-trifluorocrotonate,methyl e-3-trifluoromethyl propenoate,e-methyl 4,4,4-trifluorobut-2-enoate,methyl 4,4,4-trifluorobut-2-enoate,heddpndiaicichibemultbb`,methyl 4,4,4-trifluorocrotonat,methyl e-4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid methyl ester |
IUPAC Name | methyl (E)-4,4,4-trifluorobut-2-enoate |
InChI Key | DMMZYYLXAGRBDO-NSCUHMNNSA-N |
Molecular Formula | C5H5F3O2 |
Propargyl methacrylate, 98%, stab. with 200-300ppm 4-methoxyphenol
CAS: 13861-22-8 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00048123 InChI Key: PZAWASVJOPLHCJ-UHFFFAOYSA-N Synonym: propargyl methacrylate,2-propynyl methacrylate,2-propenoic acid, 2-methyl-, 2-propynyl ester,2-propenoic acid, 2-methyl-, 2-propyn-1-yl ester,prop-2-yn-1-yl 2-methylprop-2-enoate,prop-2-ynyl methacrylate,propargylmethacrylate,acmc-1bvgj,prop-2-yn-1-yl methacrylate,propargyl methacrylate, stabilized 10g PubChem CID: 83778 IUPAC Name: prop-2-ynyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC#C
PubChem CID | 83778 |
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CAS | 13861-22-8 |
Molecular Weight (g/mol) | 124.14 |
MDL Number | MFCD00048123 |
SMILES | CC(=C)C(=O)OCC#C |
Synonym | propargyl methacrylate,2-propynyl methacrylate,2-propenoic acid, 2-methyl-, 2-propynyl ester,2-propenoic acid, 2-methyl-, 2-propyn-1-yl ester,prop-2-yn-1-yl 2-methylprop-2-enoate,prop-2-ynyl methacrylate,propargylmethacrylate,acmc-1bvgj,prop-2-yn-1-yl methacrylate,propargyl methacrylate, stabilized 10g |
IUPAC Name | prop-2-ynyl 2-methylprop-2-enoate |
InChI Key | PZAWASVJOPLHCJ-UHFFFAOYSA-N |
Molecular Formula | C7H8O2 |
Pyrrole-2-carboxylic acid, 97%
CAS: 634-97-9 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00005219 InChI Key: WRHZVMBBRYBTKZ-UHFFFAOYSA-N Synonym: pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc PubChem CID: 12473 ChEBI: CHEBI:36751 IUPAC Name: 1H-pyrrole-2-carboxylic acid SMILES: C1=CNC(=C1)C(=O)O
PubChem CID | 12473 |
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CAS | 634-97-9 |
Molecular Weight (g/mol) | 111.1 |
ChEBI | CHEBI:36751 |
MDL Number | MFCD00005219 |
SMILES | C1=CNC(=C1)C(=O)O |
Synonym | pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc |
IUPAC Name | 1H-pyrrole-2-carboxylic acid |
InChI Key | WRHZVMBBRYBTKZ-UHFFFAOYSA-N |
Molecular Formula | C5H5NO2 |
Phthalamide, 97%
CAS: 88-96-0 Molecular Formula: C8H8N2O2 Molecular Weight (g/mol): 164.164 MDL Number: MFCD00025478 InChI Key: NAYYNDKKHOIIOD-UHFFFAOYSA-N Synonym: phthalamide,1,2-benzenedicarboxamide,phthaldiamide,phthalic acid diamide,o-carbamoylbenzamide,o-phthalic acid diamide,o-phthalamide,phthalic diamide,ccris 518,unii-7b96053wrs PubChem CID: 6956 ChEBI: CHEBI:38799 IUPAC Name: benzene-1,2-dicarboxamide SMILES: C1=CC=C(C(=C1)C(=O)N)C(=O)N
PubChem CID | 6956 |
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CAS | 88-96-0 |
Molecular Weight (g/mol) | 164.164 |
ChEBI | CHEBI:38799 |
MDL Number | MFCD00025478 |
SMILES | C1=CC=C(C(=C1)C(=O)N)C(=O)N |
Synonym | phthalamide,1,2-benzenedicarboxamide,phthaldiamide,phthalic acid diamide,o-carbamoylbenzamide,o-phthalic acid diamide,o-phthalamide,phthalic diamide,ccris 518,unii-7b96053wrs |
IUPAC Name | benzene-1,2-dicarboxamide |
InChI Key | NAYYNDKKHOIIOD-UHFFFAOYSA-N |
Molecular Formula | C8H8N2O2 |
Ethyl 5-n-propyl-1H-pyrazole-3-carboxylate, 98%
CAS: 92945-27-2 Molecular Formula: C9H14N2O2 Molecular Weight (g/mol): 182.223 MDL Number: MFCD02093950 InChI Key: SUALHSUMUQQLJP-UHFFFAOYSA-N Synonym: ethyl 3-n-propylpyrazole-5-carboxylate,ethyl 3-propyl-1h-pyrazole-5-carboxylate,ethyl 5-n-propyl-1h-pyrazole-3-carboxylate,ethyl 5-propylpyrazole-3-carboxylate,3-propyl-1h-pyrazole-5-carboxylic acid ethyl ester,5-propyl-2h-pyrazole-3-carboxylic acid ethyl ester,ethyl 5-propyl-2h-pyrazole-3-carboxylate,3-n-propylpyrazole-5-carboxylic acid ethyl ester,ethyl 3-propylpyrazole-5-carboxylate,1h-pyrazole-3-carboxylic acid, 5-propyl-, ethyl ester PubChem CID: 7365260 IUPAC Name: ethyl 5-propyl-1H-pyrazole-3-carboxylate SMILES: CCCC1=CC(=NN1)C(=O)OCC
PubChem CID | 7365260 |
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CAS | 92945-27-2 |
Molecular Weight (g/mol) | 182.223 |
MDL Number | MFCD02093950 |
SMILES | CCCC1=CC(=NN1)C(=O)OCC |
Synonym | ethyl 3-n-propylpyrazole-5-carboxylate,ethyl 3-propyl-1h-pyrazole-5-carboxylate,ethyl 5-n-propyl-1h-pyrazole-3-carboxylate,ethyl 5-propylpyrazole-3-carboxylate,3-propyl-1h-pyrazole-5-carboxylic acid ethyl ester,5-propyl-2h-pyrazole-3-carboxylic acid ethyl ester,ethyl 5-propyl-2h-pyrazole-3-carboxylate,3-n-propylpyrazole-5-carboxylic acid ethyl ester,ethyl 3-propylpyrazole-5-carboxylate,1h-pyrazole-3-carboxylic acid, 5-propyl-, ethyl ester |
IUPAC Name | ethyl 5-propyl-1H-pyrazole-3-carboxylate |
InChI Key | SUALHSUMUQQLJP-UHFFFAOYSA-N |
Molecular Formula | C9H14N2O2 |
N-tert-Butylacetamide, 98%
CAS: 762-84-5 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.176 MDL Number: MFCD00038244 InChI Key: ACYFWRHALJTSCF-UHFFFAOYSA-N Synonym: n-tert-butyl acetamide,tert-butylacetamide,n-t-butylacetamide,acetamide, n-1,1-dimethylethyl,ch3c o nhc ch3 3,acetamide,n-1,1-dimethylethyl PubChem CID: 12985 IUPAC Name: N-tert-butylacetamide SMILES: CC(=O)NC(C)(C)C
PubChem CID | 12985 |
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CAS | 762-84-5 |
Molecular Weight (g/mol) | 115.176 |
MDL Number | MFCD00038244 |
SMILES | CC(=O)NC(C)(C)C |
Synonym | n-tert-butyl acetamide,tert-butylacetamide,n-t-butylacetamide,acetamide, n-1,1-dimethylethyl,ch3c o nhc ch3 3,acetamide,n-1,1-dimethylethyl |
IUPAC Name | N-tert-butylacetamide |
InChI Key | ACYFWRHALJTSCF-UHFFFAOYSA-N |
Molecular Formula | C6H13NO |
Dimethyl 5-norbornene-2,3-dicarboxylate, 94%
CAS: 5826-73-3 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00154455 InChI Key: VGQLNJWOULYVFV-UHFFFAOYNA-N Synonym: dimethyl 5-norbornene-2,3-dicarboxylate,dimethyl bicyclo 2.2.1 hept-5-ene-2,3-dicarboxylate,dimethyl carbate,dimalone,nisy,compound 3,916,methyl 3-methoxycarbonyl bicyclo 2.2.1 hept-5-ene-2-carboxylate,acmc-1ah3y,norborn-5-ene-2endo,3endo-dicarboxylic acid dimethyl ester,5-norbornene-2, dimethyl ester PubChem CID: 38295 IUPAC Name: dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate SMILES: COC(=O)C1C2CC(C=C2)C1C(=O)OC
PubChem CID | 38295 |
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CAS | 5826-73-3 |
Molecular Weight (g/mol) | 210.23 |
MDL Number | MFCD00154455 |
SMILES | COC(=O)C1C2CC(C=C2)C1C(=O)OC |
Synonym | dimethyl 5-norbornene-2,3-dicarboxylate,dimethyl bicyclo 2.2.1 hept-5-ene-2,3-dicarboxylate,dimethyl carbate,dimalone,nisy,compound 3,916,methyl 3-methoxycarbonyl bicyclo 2.2.1 hept-5-ene-2-carboxylate,acmc-1ah3y,norborn-5-ene-2endo,3endo-dicarboxylic acid dimethyl ester,5-norbornene-2, dimethyl ester |
IUPAC Name | dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate |
InChI Key | VGQLNJWOULYVFV-UHFFFAOYNA-N |
Molecular Formula | C11H14O4 |
Ethyl 4,4,4-trifluorocrotonate, 98%
CAS: 25597-16-4 Molecular Formula: C6H7F3O2 Molecular Weight (g/mol): 168.12 MDL Number: MFCD00009903 InChI Key: ZKRJCMKLCDWROR-ONEGZZNKSA-N Synonym: ethyl 4,4,4-trifluorocrotonate,ethyl 2e-4,4,4-trifluorobut-2-enoate,ethyl4,4,4-trifluorocrotonate,e-ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid ethyl ester,ethyl e-4,4,4-trifluorobut-2-enoate,ethyl-4,4,4-trifluorocrotonate,ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluoro-but-2-enoic acid ethyl ester,2-butenoic acid, 4,4,4-trifluoro-, ethyl ester, 2e PubChem CID: 5371261 IUPAC Name: ethyl (E)-4,4,4-trifluorobut-2-enoate SMILES: CCOC(=O)\C=C\C(F)(F)F
PubChem CID | 5371261 |
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CAS | 25597-16-4 |
Molecular Weight (g/mol) | 168.12 |
MDL Number | MFCD00009903 |
SMILES | CCOC(=O)\C=C\C(F)(F)F |
Synonym | ethyl 4,4,4-trifluorocrotonate,ethyl 2e-4,4,4-trifluorobut-2-enoate,ethyl4,4,4-trifluorocrotonate,e-ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid ethyl ester,ethyl e-4,4,4-trifluorobut-2-enoate,ethyl-4,4,4-trifluorocrotonate,ethyl 4,4,4-trifluorobut-2-enoate,4,4,4-trifluoro-but-2-enoic acid ethyl ester,2-butenoic acid, 4,4,4-trifluoro-, ethyl ester, 2e |
IUPAC Name | ethyl (E)-4,4,4-trifluorobut-2-enoate |
InChI Key | ZKRJCMKLCDWROR-ONEGZZNKSA-N |
Molecular Formula | C6H7F3O2 |
1H-Imidazole-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 16042-25-4 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.088 InChI Key: KYWMCFOWDYFYLV-UHFFFAOYSA-N Synonym: 2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole PubChem CID: 574321 IUPAC Name: 1H-imidazole-2-carboxylic acid SMILES: C1=CN=C(N1)C(=O)O
PubChem CID | 574321 |
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CAS | 16042-25-4 |
Molecular Weight (g/mol) | 112.088 |
SMILES | C1=CN=C(N1)C(=O)O |
Synonym | 2-imidazolecarboxylic acid,imidazole-2-carboxylic acid,unii-o9g6515vc1,1h-imidazolecarboxylic acid,2-imidazolecarboxylicacid,2-imidazocarboxylic acid,1h-imidazole-2-carboxylicacid,imidazolecarboxylic,acmc-1avrt,2-carboxy-1h-imidazole |
IUPAC Name | 1H-imidazole-2-carboxylic acid |
InChI Key | KYWMCFOWDYFYLV-UHFFFAOYSA-N |
Molecular Formula | C4H4N2O2 |
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 2,5-dimethylpyrazole-3-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O
PubChem CID | 587721 |
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CAS | 5744-56-9 |
Molecular Weight (g/mol) | 140.14 |
MDL Number | MFCD00159636 |
SMILES | CN1N=C(C)C=C1C(O)=O |
Synonym | 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl |
IUPAC Name | 2,5-dimethylpyrazole-3-carboxylic acid |
InChI Key | QRWZFUBHOQWUGH-UHFFFAOYSA-N |
Molecular Formula | C6H8N2O2 |
CAS | 4664-01-1 |
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MDL Number | MFCD00013439 |
Benzothiazole-6-carboxylic acid, 96%
CAS: 3622-35-3 Molecular Formula: C8H5NO2S Molecular Weight (g/mol): 179.19 MDL Number: MFCD00111651 InChI Key: DMPZJACLHDWUFS-UHFFFAOYSA-N Synonym: benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2 PubChem CID: 601670 IUPAC Name: 1,3-benzothiazole-6-carboxylic acid SMILES: OC(=O)C1=CC=C2N=CSC2=C1
PubChem CID | 601670 |
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CAS | 3622-35-3 |
Molecular Weight (g/mol) | 179.19 |
MDL Number | MFCD00111651 |
SMILES | OC(=O)C1=CC=C2N=CSC2=C1 |
Synonym | benzothiazole-6-carboxylic acid,6-benzothiazolecarboxylic acid,benzo d thiazole-6-carboxylic acid,zlchem 73,pubchem9871,enamine_005417,benzothiazole-6-carboxylic,6-benzothiazolecarboxylicacid,6-benzothiazole carboxylic acid,cl-cob-iii-274-2 |
IUPAC Name | 1,3-benzothiazole-6-carboxylic acid |
InChI Key | DMPZJACLHDWUFS-UHFFFAOYSA-N |
Molecular Formula | C8H5NO2S |