Organic acids and derivatives
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5-Benzimidazolecarboxylic Acid 97.0+%, TCI America™
CAS: 15788-16-6 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00011555 InChI Key: COYPLDIXZODDDL-UHFFFAOYSA-N Synonym: 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid PubChem CID: 459456 IUPAC Name: 1H-1,3-benzodiazole-6-carboxylic acid SMILES: OC(=O)C1=CC=C2N=CNC2=C1
| PubChem CID | 459456 |
|---|---|
| CAS | 15788-16-6 |
| Molecular Weight (g/mol) | 162.15 |
| MDL Number | MFCD00011555 |
| SMILES | OC(=O)C1=CC=C2N=CNC2=C1 |
| Synonym | 1h-benzimidazole-5-carboxylic acid,5-benzimidazolecarboxylic acid,benzimidazole-5-carboxylic acid,1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-6-carboxylic acid,5-carboxybenzimidazole,1h-1,3-benzodiazole-5-carboxylic acid,3h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid,1h-1,3-benzodiazole-6-carboxylic acid |
| IUPAC Name | 1H-1,3-benzodiazole-6-carboxylic acid |
| InChI Key | COYPLDIXZODDDL-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
Isoamyl Hexanoate 98.0+%, TCI America™
CAS: 2198-61-0 Molecular Formula: C11H22O2 Molecular Weight (g/mol): 186.295 MDL Number: MFCD00027280 InChI Key: XVSZRAWFCDHCBP-UHFFFAOYSA-N Synonym: Hexanoic Acid Isoamyl Ester, Isopentyl Hexanoate, Hexanoic Acid Isopentyl Ester PubChem CID: 16617 ChEBI: CHEBI:87542 IUPAC Name: 3-methylbutyl hexanoate SMILES: CCCCCC(=O)OCCC(C)C
| PubChem CID | 16617 |
|---|---|
| CAS | 2198-61-0 |
| Molecular Weight (g/mol) | 186.295 |
| ChEBI | CHEBI:87542 |
| MDL Number | MFCD00027280 |
| SMILES | CCCCCC(=O)OCCC(C)C |
| Synonym | Hexanoic Acid Isoamyl Ester, Isopentyl Hexanoate, Hexanoic Acid Isopentyl Ester |
| IUPAC Name | 3-methylbutyl hexanoate |
| InChI Key | XVSZRAWFCDHCBP-UHFFFAOYSA-N |
| Molecular Formula | C11H22O2 |
1,2,3,4,6-Penta-O-pivaloyl-D-mannopyranose 98.0+%, TCI America™
CAS: 220017-47-0 Molecular Formula: C31H52O11 Molecular Weight (g/mol): 600.746 InChI Key: PLXCBOJERHYNCS-AUGMSIGLSA-N PubChem CID: 11039291 IUPAC Name: [(2R,3R,4S,5S)-3,4,5,6-tetrakis(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate SMILES: CC(C)(C)C(=O)OCC1C(C(C(C(O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
| PubChem CID | 11039291 |
|---|---|
| CAS | 220017-47-0 |
| Molecular Weight (g/mol) | 600.746 |
| SMILES | CC(C)(C)C(=O)OCC1C(C(C(C(O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C |
| IUPAC Name | [(2R,3R,4S,5S)-3,4,5,6-tetrakis(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate |
| InChI Key | PLXCBOJERHYNCS-AUGMSIGLSA-N |
| Molecular Formula | C31H52O11 |
1-Cyclohexene-1-carboxylic Acid 98.0+%, TCI America™
CAS: 636-82-8 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00001545 InChI Key: NMEZJSDUZQOPFE-UHFFFAOYSA-N Synonym: 1-cyclohexene-1-carboxylic acid,1-cyclohexenecarboxylic acid,cyclohex-1-enecarboxylic acid,cyclohexenecarboxylic acid,cyclohex-1-ene-1-carboxylic acid,1-cyclohexenecarboxylicacid,cyclohexenyl carboxylic acid,1-cyclohexene carboxylic acid,acmc-1b731,3,4,5,6-tetrahydrobenzoic acid PubChem CID: 69470 ChEBI: CHEBI:29565 IUPAC Name: cyclohexene-1-carboxylic acid SMILES: C1CCC(=CC1)C(=O)O
| PubChem CID | 69470 |
|---|---|
| CAS | 636-82-8 |
| Molecular Weight (g/mol) | 126.155 |
| ChEBI | CHEBI:29565 |
| MDL Number | MFCD00001545 |
| SMILES | C1CCC(=CC1)C(=O)O |
| Synonym | 1-cyclohexene-1-carboxylic acid,1-cyclohexenecarboxylic acid,cyclohex-1-enecarboxylic acid,cyclohexenecarboxylic acid,cyclohex-1-ene-1-carboxylic acid,1-cyclohexenecarboxylicacid,cyclohexenyl carboxylic acid,1-cyclohexene carboxylic acid,acmc-1b731,3,4,5,6-tetrahydrobenzoic acid |
| IUPAC Name | cyclohexene-1-carboxylic acid |
| InChI Key | NMEZJSDUZQOPFE-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
DL-2-Hydroxybutyric Acid (contains Polymolecular esterification product) 95.0+%, TCI America™
CAS: 600-15-7 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD01318568,MFCD00070502 InChI Key: AFENDNXGAFYKQO-UHFFFAOYNA-N PubChem CID: 11266 ChEBI: CHEBI:1148 IUPAC Name: 2-hydroxybutanoic acid SMILES: CCC(O)C(O)=O
| PubChem CID | 11266 |
|---|---|
| CAS | 600-15-7 |
| Molecular Weight (g/mol) | 104.11 |
| ChEBI | CHEBI:1148 |
| MDL Number | MFCD01318568,MFCD00070502 |
| SMILES | CCC(O)C(O)=O |
| IUPAC Name | 2-hydroxybutanoic acid |
| InChI Key | AFENDNXGAFYKQO-UHFFFAOYNA-N |
| Molecular Formula | C4H8O3 |
2'-Bromo-4'-methylacetanilide 98.0+%, TCI America™
CAS: 614-83-5 Molecular Formula: C9H10BrNO Molecular Weight (g/mol): 228.089 MDL Number: MFCD00017781 InChI Key: UUDGTWKIIUEVJD-UHFFFAOYSA-N Synonym: n-2-bromo-4-methylphenyl acetamide,2'-bromo-4'-methylacetanilide,2-bromo-4-methylacetanilide,acetamide, n-2-bromo-4-methylphenyl,n-acetyl-2-bromo-p-toluidine,acmc-1bdfo,2'-bromo-p-acetotoluidide,cambridge id 5104354,4-acetamino-3-bromo-toluene,2-bromo-4-methyl acetanilide PubChem CID: 69200 IUPAC Name: N-(2-bromo-4-methylphenyl)acetamide SMILES: CC1=CC(=C(C=C1)NC(=O)C)Br
| PubChem CID | 69200 |
|---|---|
| CAS | 614-83-5 |
| Molecular Weight (g/mol) | 228.089 |
| MDL Number | MFCD00017781 |
| SMILES | CC1=CC(=C(C=C1)NC(=O)C)Br |
| Synonym | n-2-bromo-4-methylphenyl acetamide,2'-bromo-4'-methylacetanilide,2-bromo-4-methylacetanilide,acetamide, n-2-bromo-4-methylphenyl,n-acetyl-2-bromo-p-toluidine,acmc-1bdfo,2'-bromo-p-acetotoluidide,cambridge id 5104354,4-acetamino-3-bromo-toluene,2-bromo-4-methyl acetanilide |
| IUPAC Name | N-(2-bromo-4-methylphenyl)acetamide |
| InChI Key | UUDGTWKIIUEVJD-UHFFFAOYSA-N |
| Molecular Formula | C9H10BrNO |
Butyl Crotonate 97.0+%, TCI America™
CAS: 7299-91-4 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00053794 InChI Key: GWCTUKHUBWMAMI-GQCTYLIASA-N Synonym: Crotonic Acid Butyl Ester PubChem CID: 5366039 IUPAC Name: butyl (2E)-but-2-enoate SMILES: CCCCOC(=O)\C=C\C
| PubChem CID | 5366039 |
|---|---|
| CAS | 7299-91-4 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00053794 |
| SMILES | CCCCOC(=O)\C=C\C |
| Synonym | Crotonic Acid Butyl Ester |
| IUPAC Name | butyl (2E)-but-2-enoate |
| InChI Key | GWCTUKHUBWMAMI-GQCTYLIASA-N |
| Molecular Formula | C8H14O2 |
Barium Diphenylamine-4-sulfonate 98.0+%, TCI America™
CAS: 6211-24-1 Molecular Formula: C24H20BaN2O6S2 Molecular Weight (g/mol): 633.88 MDL Number: MFCD00007497 InChI Key: IVCNVXFNTKXMCA-UHFFFAOYSA-L Synonym: barium diphenylamine-4-sulfonate,barium diphenylaminesulfonate,benzenesulfonic acid, 4-phenylamino-, barium salt 2:1,barium bis 4-anilinobenzenesulphonate,barium diphenylamine sulfonate,n-phenylsufanilic acid barium,unii-ssj5f79159,diphenylamine-4-sulfonic acid barium salt,n-phenylsufanilic acid, barium salt,4-anilinobenzenesulfonate; barium 2+ PubChem CID: 80342 IUPAC Name: barium(2+) bis(4-(phenylamino)benzene-1-sulfonate) SMILES: [Ba++].[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1.[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 80342 |
|---|---|
| CAS | 6211-24-1 |
| Molecular Weight (g/mol) | 633.88 |
| MDL Number | MFCD00007497 |
| SMILES | [Ba++].[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1.[O-]S(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1 |
| Synonym | barium diphenylamine-4-sulfonate,barium diphenylaminesulfonate,benzenesulfonic acid, 4-phenylamino-, barium salt 2:1,barium bis 4-anilinobenzenesulphonate,barium diphenylamine sulfonate,n-phenylsufanilic acid barium,unii-ssj5f79159,diphenylamine-4-sulfonic acid barium salt,n-phenylsufanilic acid, barium salt,4-anilinobenzenesulfonate; barium 2+ |
| IUPAC Name | barium(2+) bis(4-(phenylamino)benzene-1-sulfonate) |
| InChI Key | IVCNVXFNTKXMCA-UHFFFAOYSA-L |
| Molecular Formula | C24H20BaN2O6S2 |
Diisopropyl (Bromomethyl)boronate 95.0+%, TCI America™
CAS: 137297-49-5 Molecular Formula: C7H16BBrO2 Molecular Weight (g/mol): 222.917 MDL Number: MFCD01631222 InChI Key: FNHYYZNZIWONBQ-UHFFFAOYSA-N Synonym: (Bromomethyl)boronic Acid Diisopropyl Ester PubChem CID: 2762526 IUPAC Name: bromomethyl-di(propan-2-yloxy)borane SMILES: B(CBr)(OC(C)C)OC(C)C
| PubChem CID | 2762526 |
|---|---|
| CAS | 137297-49-5 |
| Molecular Weight (g/mol) | 222.917 |
| MDL Number | MFCD01631222 |
| SMILES | B(CBr)(OC(C)C)OC(C)C |
| Synonym | (Bromomethyl)boronic Acid Diisopropyl Ester |
| IUPAC Name | bromomethyl-di(propan-2-yloxy)borane |
| InChI Key | FNHYYZNZIWONBQ-UHFFFAOYSA-N |
| Molecular Formula | C7H16BBrO2 |
Butyl Butyrate 99.0+%, TCI America™
CAS: 109-21-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00009450 InChI Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N Synonym: butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate PubChem CID: 7983 ChEBI: CHEBI:87429 IUPAC Name: butyl butanoate SMILES: CCCCOC(=O)CCC
| PubChem CID | 7983 |
|---|---|
| CAS | 109-21-7 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:87429 |
| MDL Number | MFCD00009450 |
| SMILES | CCCCOC(=O)CCC |
| Synonym | butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate |
| IUPAC Name | butyl butanoate |
| InChI Key | XUPYJHCZDLZNFP-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
cis-3-Hexenyl Pyruvate 95.0+%, TCI America™
CAS: 68133-76-6 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00036527 InChI Key: LKNXTZXOBHAYSR-PLNGDYQASA-N Synonym: Pyruvic Acid cis-3-Hexenyl Ester PubChem CID: 5363291 IUPAC Name: (3Z)-hex-3-en-1-yl 2-oxopropanoate SMILES: CC\C=C/CCOC(=O)C(C)=O
| PubChem CID | 5363291 |
|---|---|
| CAS | 68133-76-6 |
| Molecular Weight (g/mol) | 170.21 |
| MDL Number | MFCD00036527 |
| SMILES | CC\C=C/CCOC(=O)C(C)=O |
| Synonym | Pyruvic Acid cis-3-Hexenyl Ester |
| IUPAC Name | (3Z)-hex-3-en-1-yl 2-oxopropanoate |
| InChI Key | LKNXTZXOBHAYSR-PLNGDYQASA-N |
| Molecular Formula | C9H14O3 |
3-Carboxy-1-(4-sulfophenyl)-5-pyrazolone Sodium Salt 98.0+%, TCI America™
CAS: 52126-51-9 Molecular Formula: C10H7N2NaO6S Molecular Weight (g/mol): 306.224 MDL Number: MFCD00059720 InChI Key: KFVXGVBBXSOYNO-UHFFFAOYSA-M Synonym: 5-Oxo-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic Acid Sodium Salt PubChem CID: 23695324 IUPAC Name: sodium;5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate SMILES: C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)[O-].[Na+]
| PubChem CID | 23695324 |
|---|---|
| CAS | 52126-51-9 |
| Molecular Weight (g/mol) | 306.224 |
| MDL Number | MFCD00059720 |
| SMILES | C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)[O-].[Na+] |
| Synonym | 5-Oxo-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic Acid Sodium Salt |
| IUPAC Name | sodium;5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylate |
| InChI Key | KFVXGVBBXSOYNO-UHFFFAOYSA-M |
| Molecular Formula | C10H7N2NaO6S |
Ethyl 3-Ethoxyacrylate (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 1001-26-9 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009863 InChI Key: ITQFPVUDTFABDH-AATRIKPKSA-N 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 |
| IUPAC Name | ethyl (E)-3-ethoxyprop-2-enoate |
| InChI Key | ITQFPVUDTFABDH-AATRIKPKSA-N |
| Molecular Formula | C7H12O3 |
Sodium Dichloroacetate 99.0+%, TCI America™
CAS: 2156-56-1 Molecular Formula: C2HCl2NaO2 Molecular Weight (g/mol): 150.92 MDL Number: MFCD00070489 InChI Key: LUPNKHXLFSSUGS-UHFFFAOYSA-M Synonym: sodium dichloroacetate,sodium 2,2-dichloroacetate,dichloroacetic acid sodium salt,acetic acid, dichloro-, sodium salt,ceresine,dichloroacetate sodium,dichloroctan sodny czech,sodium dichloroacetate usan,ccris 7697,dichloroacetic acid, sodium salt PubChem CID: 517326 IUPAC Name: sodium 2,2-dichloroacetate SMILES: [Na+].[O-]C(=O)C(Cl)Cl
| PubChem CID | 517326 |
|---|---|
| CAS | 2156-56-1 |
| Molecular Weight (g/mol) | 150.92 |
| MDL Number | MFCD00070489 |
| SMILES | [Na+].[O-]C(=O)C(Cl)Cl |
| Synonym | sodium dichloroacetate,sodium 2,2-dichloroacetate,dichloroacetic acid sodium salt,acetic acid, dichloro-, sodium salt,ceresine,dichloroacetate sodium,dichloroctan sodny czech,sodium dichloroacetate usan,ccris 7697,dichloroacetic acid, sodium salt |
| IUPAC Name | sodium 2,2-dichloroacetate |
| InChI Key | LUPNKHXLFSSUGS-UHFFFAOYSA-M |
| Molecular Formula | C2HCl2NaO2 |
2,3-Dimethyl-1-phenyl-5-pyrazolone 99.0+%, TCI America™
CAS: 60-80-0 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD00003146 InChI Key: VEQOALNAAJBPNY-UHFFFAOYSA-N Synonym: antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone PubChem CID: 2206 ChEBI: CHEBI:31225 IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2
| PubChem CID | 2206 |
|---|---|
| CAS | 60-80-0 |
| Molecular Weight (g/mol) | 188.23 |
| ChEBI | CHEBI:31225 |
| MDL Number | MFCD00003146 |
| SMILES | CC1=CC(=O)N(N1C)C2=CC=CC=C2 |
| Synonym | antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone |
| IUPAC Name | 1,5-dimethyl-2-phenylpyrazol-3-one |
| InChI Key | VEQOALNAAJBPNY-UHFFFAOYSA-N |
| Molecular Formula | C11H12N2O |