Organic acids and derivatives
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4-Biphenylacetic Acid 98.0+%, TCI America™
CAS: 5728-52-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.248 MDL Number: MFCD00004351 InChI Key: QRZAKQDHEVVFRX-UHFFFAOYSA-N Synonym: 4-biphenylacetic acid,felbinac,4-biphenylylacetic acid,traxam,dolinac,4-carboxymethylbiphenyl,napageln,2-4-phenylphenyl acetic acid,p-biphenylylacetic acid,1,1'-biphenyl-4-acetic acid PubChem CID: 3332 ChEBI: CHEBI:31597 IUPAC Name: 2-(4-phenylphenyl)acetic acid SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
| PubChem CID | 3332 |
|---|---|
| CAS | 5728-52-9 |
| Molecular Weight (g/mol) | 212.248 |
| ChEBI | CHEBI:31597 |
| MDL Number | MFCD00004351 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O |
| Synonym | 4-biphenylacetic acid,felbinac,4-biphenylylacetic acid,traxam,dolinac,4-carboxymethylbiphenyl,napageln,2-4-phenylphenyl acetic acid,p-biphenylylacetic acid,1,1'-biphenyl-4-acetic acid |
| IUPAC Name | 2-(4-phenylphenyl)acetic acid |
| InChI Key | QRZAKQDHEVVFRX-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
tert-Butyl 2-Bromopropionate 97.0+%, TCI America™
CAS: 39149-80-9 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.083 MDL Number: MFCD00043897 InChI Key: CVAWKJKISIPBOD-UHFFFAOYSA-N Synonym: 2-Bromopropionic Acid tert-Butyl Ester PubChem CID: 545327 IUPAC Name: tert-butyl 2-bromopropanoate SMILES: CC(C(=O)OC(C)(C)C)Br
| PubChem CID | 545327 |
|---|---|
| CAS | 39149-80-9 |
| Molecular Weight (g/mol) | 209.083 |
| MDL Number | MFCD00043897 |
| SMILES | CC(C(=O)OC(C)(C)C)Br |
| Synonym | 2-Bromopropionic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl 2-bromopropanoate |
| InChI Key | CVAWKJKISIPBOD-UHFFFAOYSA-N |
| Molecular Formula | C7H13BrO2 |
4-Phthalimidobutyric Acid 98.0+%, TCI America™
CAS: 3130-75-4 Molecular Formula: C12H11NO4 Molecular Weight (g/mol): 233.223 MDL Number: MFCD00196079 InChI Key: HMKSXJBFBVGLJJ-UHFFFAOYSA-N PubChem CID: 18411 IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butanoic acid SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)O
| PubChem CID | 18411 |
|---|---|
| CAS | 3130-75-4 |
| Molecular Weight (g/mol) | 233.223 |
| MDL Number | MFCD00196079 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)O |
| IUPAC Name | 4-(1,3-dioxoisoindol-2-yl)butanoic acid |
| InChI Key | HMKSXJBFBVGLJJ-UHFFFAOYSA-N |
| Molecular Formula | C12H11NO4 |
1-Phenyloxindole 98.0+%, TCI America™
CAS: 3335-98-6 Molecular Formula: C14H11NO Molecular Weight (g/mol): 209.25 MDL Number: MFCD00234850 InChI Key: OWPNVXATCSXTBK-UHFFFAOYSA-N Synonym: 1-Phenyl-2-indolinone, 2-Oxo-1-phenylindoline PubChem CID: 314787 IUPAC Name: 1-phenyl-2,3-dihydro-1H-indol-2-one SMILES: O=C1CC2=CC=CC=C2N1C1=CC=CC=C1
| PubChem CID | 314787 |
|---|---|
| CAS | 3335-98-6 |
| Molecular Weight (g/mol) | 209.25 |
| MDL Number | MFCD00234850 |
| SMILES | O=C1CC2=CC=CC=C2N1C1=CC=CC=C1 |
| Synonym | 1-Phenyl-2-indolinone, 2-Oxo-1-phenylindoline |
| IUPAC Name | 1-phenyl-2,3-dihydro-1H-indol-2-one |
| InChI Key | OWPNVXATCSXTBK-UHFFFAOYSA-N |
| Molecular Formula | C14H11NO |
Pranlukast 98.0+%, TCI America™
CAS: 103177-37-3 Molecular Formula: C27H23N5O4 Molecular Weight (g/mol): 481.512 MDL Number: MFCD00864631 InChI Key: NBQKINXMPLXUET-UHFFFAOYSA-N Synonym: pranlukast,azlaire,pranlukast hydrate,onon,pranlukast inn,azlaire tn,n-4-oxo-2-2h-tetrazol-5-yl chromen-8-yl-4-4-phenylbutoxy benzamide,chembl21333,ono-rs-411,4-oxo-8-4-4-phenylbutoxy benzoylamino-2-tetrazol-5-yl-4h-1-benzopyran PubChem CID: 4887 IUPAC Name: N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide SMILES: C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5
| PubChem CID | 4887 |
|---|---|
| CAS | 103177-37-3 |
| Molecular Weight (g/mol) | 481.512 |
| MDL Number | MFCD00864631 |
| SMILES | C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5 |
| Synonym | pranlukast,azlaire,pranlukast hydrate,onon,pranlukast inn,azlaire tn,n-4-oxo-2-2h-tetrazol-5-yl chromen-8-yl-4-4-phenylbutoxy benzamide,chembl21333,ono-rs-411,4-oxo-8-4-4-phenylbutoxy benzoylamino-2-tetrazol-5-yl-4h-1-benzopyran |
| IUPAC Name | N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide |
| InChI Key | NBQKINXMPLXUET-UHFFFAOYSA-N |
| Molecular Formula | C27H23N5O4 |
Potassium Trifluoroacetate 98.0+%, TCI America™
CAS: 2923-16-2 Molecular Formula: C2F3KO2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00013215 InChI Key: CUNPJFGIODEJLQ-UHFFFAOYSA-M Synonym: potassium trifluoroacetate,potassium 2,2,2-trifluoroacetate,trifluoroacetic acid potassium salt,acetic acid, trifluoro-, potassium salt,potassiumtrifluoroacetate,pubchem12605,potassium ion trifluoroacetate,ksc492g5t,trifluoroacetic acid, potassium salt,potassium 2,2,2-tris fluoranyl ethanoate PubChem CID: 23662811 IUPAC Name: potassium trifluoroacetate SMILES: [K+].[O-]C(=O)C(F)(F)F
| PubChem CID | 23662811 |
|---|---|
| CAS | 2923-16-2 |
| Molecular Weight (g/mol) | 152.11 |
| MDL Number | MFCD00013215 |
| SMILES | [K+].[O-]C(=O)C(F)(F)F |
| Synonym | potassium trifluoroacetate,potassium 2,2,2-trifluoroacetate,trifluoroacetic acid potassium salt,acetic acid, trifluoro-, potassium salt,potassiumtrifluoroacetate,pubchem12605,potassium ion trifluoroacetate,ksc492g5t,trifluoroacetic acid, potassium salt,potassium 2,2,2-tris fluoranyl ethanoate |
| IUPAC Name | potassium trifluoroacetate |
| InChI Key | CUNPJFGIODEJLQ-UHFFFAOYSA-M |
| Molecular Formula | C2F3KO2 |
2-Phenoxyethyl Methacrylate (stabilized with HQ + MEHQ) 85.0+%, TCI America™
CAS: 10595-06-9 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.241 MDL Number: MFCD00053685 InChI Key: CEXQWAAGPPNOQF-UHFFFAOYSA-N Synonym: Methacrylic Acid 2-Phenoxyethyl Ester, Ethylene Glycol Monophenyl Ether Methacrylate PubChem CID: 66357 IUPAC Name: 2-phenoxyethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCCOC1=CC=CC=C1
| PubChem CID | 66357 |
|---|---|
| CAS | 10595-06-9 |
| Molecular Weight (g/mol) | 206.241 |
| MDL Number | MFCD00053685 |
| SMILES | CC(=C)C(=O)OCCOC1=CC=CC=C1 |
| Synonym | Methacrylic Acid 2-Phenoxyethyl Ester, Ethylene Glycol Monophenyl Ether Methacrylate |
| IUPAC Name | 2-phenoxyethyl 2-methylprop-2-enoate |
| InChI Key | CEXQWAAGPPNOQF-UHFFFAOYSA-N |
| Molecular Formula | C12H14O3 |
4-Phosphonobenzoic Acid 96.0+%, TCI America™
CAS: 618-21-3 Molecular Formula: C7H7O5P Molecular Weight (g/mol): 202.102 MDL Number: MFCD00159431 InChI Key: IEQICHVXWFGDAN-UHFFFAOYSA-N Synonym: 4-Carboxyphenylphosphonic Acid PubChem CID: 12054 IUPAC Name: 4-phosphonobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)P(=O)(O)O
| PubChem CID | 12054 |
|---|---|
| CAS | 618-21-3 |
| Molecular Weight (g/mol) | 202.102 |
| MDL Number | MFCD00159431 |
| SMILES | C1=CC(=CC=C1C(=O)O)P(=O)(O)O |
| Synonym | 4-Carboxyphenylphosphonic Acid |
| IUPAC Name | 4-phosphonobenzoic acid |
| InChI Key | IEQICHVXWFGDAN-UHFFFAOYSA-N |
| Molecular Formula | C7H7O5P |
N-tert-Butylformamide 98.0+%, TCI America™
CAS: 2425-74-3 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.149 MDL Number: MFCD00003277 InChI Key: SDLAKRCBYGZJRW-UHFFFAOYSA-N Synonym: N-Formyl-tert-butylamine PubChem CID: 17045 IUPAC Name: N-tert-butylformamide SMILES: CC(C)(C)NC=O
| PubChem CID | 17045 |
|---|---|
| CAS | 2425-74-3 |
| Molecular Weight (g/mol) | 101.149 |
| MDL Number | MFCD00003277 |
| SMILES | CC(C)(C)NC=O |
| Synonym | N-Formyl-tert-butylamine |
| IUPAC Name | N-tert-butylformamide |
| InChI Key | SDLAKRCBYGZJRW-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
Butyl Gallate 98.0+%, TCI America™
CAS: 1083-41-6 Molecular Formula: C11H14O5 Molecular Weight (g/mol): 226.228 MDL Number: MFCD00016432 InChI Key: XOPOEBVTQYAOSV-UHFFFAOYSA-N Synonym: Gallic Acid Butyl Ester PubChem CID: 14128 IUPAC Name: butyl 3,4,5-trihydroxybenzoate SMILES: CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
| PubChem CID | 14128 |
|---|---|
| CAS | 1083-41-6 |
| Molecular Weight (g/mol) | 226.228 |
| MDL Number | MFCD00016432 |
| SMILES | CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| Synonym | Gallic Acid Butyl Ester |
| IUPAC Name | butyl 3,4,5-trihydroxybenzoate |
| InChI Key | XOPOEBVTQYAOSV-UHFFFAOYSA-N |
| Molecular Formula | C11H14O5 |
N,2'-Dimethylformanilide 97.0+%, TCI America™
CAS: 131840-54-5 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD09038514 InChI Key: WWWSJNJIEHCOSE-UHFFFAOYSA-N Synonym: N-Methyl-N-(o-tolyl)formamide PubChem CID: 15739199 IUPAC Name: N-methyl-N-(2-methylphenyl)formamide SMILES: CN(C=O)C1=CC=CC=C1C
| PubChem CID | 15739199 |
|---|---|
| CAS | 131840-54-5 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD09038514 |
| SMILES | CN(C=O)C1=CC=CC=C1C |
| Synonym | N-Methyl-N-(o-tolyl)formamide |
| IUPAC Name | N-methyl-N-(2-methylphenyl)formamide |
| InChI Key | WWWSJNJIEHCOSE-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
Dicyclopentanyl Acrylate (stabilized with MEHQ) 95.0+%, TCI America™
CAS: 7398-56-3 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD08276368 InChI Key: BDYXPMNDZDGGTI-UHFFFAOYNA-N Synonym: Acrylic Acid Dicyclopentanyl Ester, Acrylic Acid Tetrahydrodicyclopentadienyl Ester, Tetrahydrodicyclopentadienyl Acrylate PubChem CID: 13001872 IUPAC Name: tricyclo[5.2.1.0²,⁶]decan-8-yl prop-2-enoate SMILES: C=CC(=O)OC1CC2CC1C1CCCC21
| PubChem CID | 13001872 |
|---|---|
| CAS | 7398-56-3 |
| Molecular Weight (g/mol) | 206.29 |
| MDL Number | MFCD08276368 |
| SMILES | C=CC(=O)OC1CC2CC1C1CCCC21 |
| Synonym | Acrylic Acid Dicyclopentanyl Ester, Acrylic Acid Tetrahydrodicyclopentadienyl Ester, Tetrahydrodicyclopentadienyl Acrylate |
| IUPAC Name | tricyclo[5.2.1.0²,⁶]decan-8-yl prop-2-enoate |
| InChI Key | BDYXPMNDZDGGTI-UHFFFAOYNA-N |
| Molecular Formula | C13H18O2 |
2-Ethylbutyl Acetate 98.0+%, TCI America™
CAS: 10031-87-5 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00009343 InChI Key: HQLKZWRSOHTERR-UHFFFAOYSA-N Synonym: acetic acid, 2-ethylbutyl ester,2-ethyl butyl acetate,beta-ethylbutyl acetate,acetic acid 2-ethylbutyl ester,1-butanol, 2-ethyl-, acetate,fema no. 2425,2-ethylbutylacetat,2-ethylbutyl=acetate,acmc-2097ot,2-ethylbutyl acetate PubChem CID: 61448 IUPAC Name: 2-ethylbutyl acetate SMILES: CCC(CC)COC(=O)C
| PubChem CID | 61448 |
|---|---|
| CAS | 10031-87-5 |
| Molecular Weight (g/mol) | 144.214 |
| MDL Number | MFCD00009343 |
| SMILES | CCC(CC)COC(=O)C |
| Synonym | acetic acid, 2-ethylbutyl ester,2-ethyl butyl acetate,beta-ethylbutyl acetate,acetic acid 2-ethylbutyl ester,1-butanol, 2-ethyl-, acetate,fema no. 2425,2-ethylbutylacetat,2-ethylbutyl=acetate,acmc-2097ot,2-ethylbutyl acetate |
| IUPAC Name | 2-ethylbutyl acetate |
| InChI Key | HQLKZWRSOHTERR-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
2-Bromoisobutyramide 98.0+%, TCI America™
CAS: 7462-74-0 Molecular Formula: C4H8BrNO Molecular Weight (g/mol): 166.018 MDL Number: MFCD08234837 InChI Key: WTRIMJTZOOLIFZ-UHFFFAOYSA-N Synonym: 2-Bromo-2-methylpropionamide PubChem CID: 101235 IUPAC Name: 2-bromo-2-methylpropanamide SMILES: CC(C)(C(=O)N)Br
| PubChem CID | 101235 |
|---|---|
| CAS | 7462-74-0 |
| Molecular Weight (g/mol) | 166.018 |
| MDL Number | MFCD08234837 |
| SMILES | CC(C)(C(=O)N)Br |
| Synonym | 2-Bromo-2-methylpropionamide |
| IUPAC Name | 2-bromo-2-methylpropanamide |
| InChI Key | WTRIMJTZOOLIFZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8BrNO |
1-Benzylhydantoin 98.0+%, TCI America™
CAS: 6777-05-5 Molecular Formula: C10H10N2O2 Molecular Weight (g/mol): 190.20 MDL Number: MFCD00466790 InChI Key: VJUNTPRQTFDQMF-UHFFFAOYSA-N PubChem CID: 2735485 IUPAC Name: 1-benzylimidazolidine-2,4-dione SMILES: C1C(=O)NC(=O)N1CC2=CC=CC=C2
| PubChem CID | 2735485 |
|---|---|
| CAS | 6777-05-5 |
| Molecular Weight (g/mol) | 190.20 |
| MDL Number | MFCD00466790 |
| SMILES | C1C(=O)NC(=O)N1CC2=CC=CC=C2 |
| IUPAC Name | 1-benzylimidazolidine-2,4-dione |
| InChI Key | VJUNTPRQTFDQMF-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O2 |