Carboxylic acids and derivatives
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N-Benzoyl-N-phenylhydroxylamine, 98%
CAS: 304-88-1 Molecular Formula: C13H11NO2 Molecular Weight (g/mol): 213.24 MDL Number: MFCD00002111 InChI Key: YLYIXDZITBMCIW-UHFFFAOYSA-N Synonym: n-benzoyl-n-phenylhydroxylamine,n-phenylbenzohydroxamic acid,n-hydroxybenzanilide,benzamide, n-hydroxy-n-phenyl,n-benzoyl-n-phenylhydroxamic acid,n-benzoylphenylhydroxylamine,benzohydroxamic acid, n-phenyl,tantalon,acmc-1cqm9,n-phenylbenzohydroxamicacid PubChem CID: 67536 IUPAC Name: N-hydroxy-N-phenylbenzamide SMILES: ON(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 67536 |
|---|---|
| CAS | 304-88-1 |
| Molecular Weight (g/mol) | 213.24 |
| MDL Number | MFCD00002111 |
| SMILES | ON(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | n-benzoyl-n-phenylhydroxylamine,n-phenylbenzohydroxamic acid,n-hydroxybenzanilide,benzamide, n-hydroxy-n-phenyl,n-benzoyl-n-phenylhydroxamic acid,n-benzoylphenylhydroxylamine,benzohydroxamic acid, n-phenyl,tantalon,acmc-1cqm9,n-phenylbenzohydroxamicacid |
| IUPAC Name | N-hydroxy-N-phenylbenzamide |
| InChI Key | YLYIXDZITBMCIW-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO2 |
trans-Indole-3-acrylic acid, 98+%
CAS: 29953-71-7 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.198 MDL Number: MFCD00005633 InChI Key: PLVPPLCLBIEYEA-AATRIKPKSA-N Synonym: 3-indoleacrylic acid,trans-3-indoleacrylic acid,indole-3-acrylic acid,3-indolylacrylic acid,indole-3beta-acrylic acid,3-1h-indol-3-yl acrylic acid,indole-3-crylic acid,2e-3-1h-indol-3-yl prop-2-enoic acid,trans-3-1h-indol-3-yl acrylic acid,indoleacrylic acid van PubChem CID: 5375048 IUPAC Name: (E)-3-(1H-indol-3-yl)prop-2-enoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O
| PubChem CID | 5375048 |
|---|---|
| CAS | 29953-71-7 |
| Molecular Weight (g/mol) | 187.198 |
| MDL Number | MFCD00005633 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O |
| Synonym | 3-indoleacrylic acid,trans-3-indoleacrylic acid,indole-3-acrylic acid,3-indolylacrylic acid,indole-3beta-acrylic acid,3-1h-indol-3-yl acrylic acid,indole-3-crylic acid,2e-3-1h-indol-3-yl prop-2-enoic acid,trans-3-1h-indol-3-yl acrylic acid,indoleacrylic acid van |
| IUPAC Name | (E)-3-(1H-indol-3-yl)prop-2-enoic acid |
| InChI Key | PLVPPLCLBIEYEA-AATRIKPKSA-N |
| Molecular Formula | C11H9NO2 |
2,2,5,5-Tetramethyl-3-pyrroline-3-carboxamide, 99%
CAS: 19805-75-5 Molecular Formula: C9H16N2O Molecular Weight (g/mol): 168.24 MDL Number: MFCD00041846 InChI Key: ACFYUJLIWIDSFM-UHFFFAOYSA-N Synonym: 2,2,5,5-tetramethyl-3-pyrroline-3-carboxamide,2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrole-3-carboxamide,1h-pyrrole-3-carboxamide, 2,5-dihydro-2,2,5,5-tetramethyl,2,5-dihydro-2,2,5,5-tetramethyl-1h-pyrrole-3-carboxamide,3-aminocarbonyl-2,2,5,5-tetramethy-3-pyrroline,maybridge3_000440,acmc-1c3ma,3-carbamoyl-2,2,5,5-tetramethyl-3-pyrroline,3-aminocarbonyl-2,2,5,5-tetramethyl-3-pyrroline PubChem CID: 88255 IUPAC Name: 2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide SMILES: CC1(C=C(C(N1)(C)C)C(=O)N)C
| PubChem CID | 88255 |
|---|---|
| CAS | 19805-75-5 |
| Molecular Weight (g/mol) | 168.24 |
| MDL Number | MFCD00041846 |
| SMILES | CC1(C=C(C(N1)(C)C)C(=O)N)C |
| Synonym | 2,2,5,5-tetramethyl-3-pyrroline-3-carboxamide,2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrole-3-carboxamide,1h-pyrrole-3-carboxamide, 2,5-dihydro-2,2,5,5-tetramethyl,2,5-dihydro-2,2,5,5-tetramethyl-1h-pyrrole-3-carboxamide,3-aminocarbonyl-2,2,5,5-tetramethy-3-pyrroline,maybridge3_000440,acmc-1c3ma,3-carbamoyl-2,2,5,5-tetramethyl-3-pyrroline,3-aminocarbonyl-2,2,5,5-tetramethyl-3-pyrroline |
| IUPAC Name | 2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide |
| InChI Key | ACFYUJLIWIDSFM-UHFFFAOYSA-N |
| Molecular Formula | C9H16N2O |
Ethyl diacetoacetate, 97%
CAS: 603-69-0 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00009864 InChI Key: YMCDYRGMTRCAPZ-UHFFFAOYSA-N PubChem CID: 79063 IUPAC Name: ethyl 2-acetyl-3-oxobutanoate SMILES: CCOC(=O)C(C(=O)C)C(=O)C
| PubChem CID | 79063 |
|---|---|
| CAS | 603-69-0 |
| Molecular Weight (g/mol) | 172.18 |
| MDL Number | MFCD00009864 |
| SMILES | CCOC(=O)C(C(=O)C)C(=O)C |
| IUPAC Name | ethyl 2-acetyl-3-oxobutanoate |
| InChI Key | YMCDYRGMTRCAPZ-UHFFFAOYSA-N |
| Molecular Formula | C8H12O4 |
Oxamic acid, 98%
CAS: 471-47-6 Molecular Formula: C2H3NO3 Molecular Weight (g/mol): 89.05 MDL Number: MFCD00008006 InChI Key: SOWBFZRMHSNYGE-UHFFFAOYSA-N Synonym: 2-amino-2-oxoacetic acid,oxamate,acetic acid, aminooxo,oxalamic acid,oxamidic acid,glycine, 2-oxo,oxalic acid monoamide,amino oxo acetic acid,aminooxoacetic acid,oxamate repellent PubChem CID: 974 ChEBI: CHEBI:18058 IUPAC Name: oxamic acid SMILES: C(=O)(C(=O)O)N
| PubChem CID | 974 |
|---|---|
| CAS | 471-47-6 |
| Molecular Weight (g/mol) | 89.05 |
| ChEBI | CHEBI:18058 |
| MDL Number | MFCD00008006 |
| SMILES | C(=O)(C(=O)O)N |
| Synonym | 2-amino-2-oxoacetic acid,oxamate,acetic acid, aminooxo,oxalamic acid,oxamidic acid,glycine, 2-oxo,oxalic acid monoamide,amino oxo acetic acid,aminooxoacetic acid,oxamate repellent |
| IUPAC Name | oxamic acid |
| InChI Key | SOWBFZRMHSNYGE-UHFFFAOYSA-N |
| Molecular Formula | C2H3NO3 |
2-Naphthylacetic acid, 99%
CAS: 581-96-4 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004126 InChI Key: VIBOGIYPPWLDTI-UHFFFAOYSA-N Synonym: 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid PubChem CID: 11393 ChEBI: CHEBI:37837 IUPAC Name: 2-naphthalen-2-ylacetic acid SMILES: OC(=O)CC1=CC=C2C=CC=CC2=C1
| PubChem CID | 11393 |
|---|---|
| CAS | 581-96-4 |
| Molecular Weight (g/mol) | 186.21 |
| ChEBI | CHEBI:37837 |
| MDL Number | MFCD00004126 |
| SMILES | OC(=O)CC1=CC=C2C=CC=CC2=C1 |
| Synonym | 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid |
| IUPAC Name | 2-naphthalen-2-ylacetic acid |
| InChI Key | VIBOGIYPPWLDTI-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
2-Sulfobenzoic anhydride, 94%
CAS: 81-08-3 Molecular Formula: C7H4O4S Molecular Weight (g/mol): 184.165 MDL Number: MFCD00005879 InChI Key: NCYNKWQXFADUOZ-UHFFFAOYSA-N Synonym: 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w PubChem CID: 65729 IUPAC Name: 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one SMILES: C1=CC=C2C(=C1)C(=O)OS2(=O)=O
| PubChem CID | 65729 |
|---|---|
| CAS | 81-08-3 |
| Molecular Weight (g/mol) | 184.165 |
| MDL Number | MFCD00005879 |
| SMILES | C1=CC=C2C(=C1)C(=O)OS2(=O)=O |
| Synonym | 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w |
| IUPAC Name | 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one |
| InChI Key | NCYNKWQXFADUOZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4O4S |
3-Nitrophthalimide, 98%
CAS: 603-62-3 Molecular Formula: C8H4N2O4 Molecular Weight (g/mol): 192.13 MDL Number: MFCD00041852 InChI Key: BONIIQYTWOPUQI-UHFFFAOYSA-N Synonym: 3-nitrophthalimide,4-nitroisoindoline-1,3-dione,phthalimide, 3-nitro,1h-isoindole-1,3 2h-dione, 4-nitro,nitrophthalimide,4-nitro-2,3-dihydro-1h-isoindole-1,3-dione,4-nitro-1h-isoindole-1,3 2h-dione,4-nitro-2h-benzo c azoline-1,3-dione,3-nitro-phthalimide,pubchem12007 PubChem CID: 11779 IUPAC Name: 4-nitroisoindole-1,3-dione SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NC2=O
| PubChem CID | 11779 |
|---|---|
| CAS | 603-62-3 |
| Molecular Weight (g/mol) | 192.13 |
| MDL Number | MFCD00041852 |
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NC2=O |
| Synonym | 3-nitrophthalimide,4-nitroisoindoline-1,3-dione,phthalimide, 3-nitro,1h-isoindole-1,3 2h-dione, 4-nitro,nitrophthalimide,4-nitro-2,3-dihydro-1h-isoindole-1,3-dione,4-nitro-1h-isoindole-1,3 2h-dione,4-nitro-2h-benzo c azoline-1,3-dione,3-nitro-phthalimide,pubchem12007 |
| IUPAC Name | 4-nitroisoindole-1,3-dione |
| InChI Key | BONIIQYTWOPUQI-UHFFFAOYSA-N |
| Molecular Formula | C8H4N2O4 |
5-Bromoindoxyl diacetate, 98+%, Thermo Scientific Chemicals
CAS: 33588-54-4 Molecular Formula: C12H10BrNO3 Molecular Weight (g/mol): 296.12 MDL Number: MFCD00005799 InChI Key: XJRIDJAGAYGJCK-UHFFFAOYSA-N Synonym: 5-bromoindoxyl diacetate,1-acetyl-5-bromo-1h-indol-3-yl acetate,5-bromoindoxyldiacetate,n-acetyl-5-bromoindolyl acetate,1-acetyl-3-acetyloxy-5-bromoindole,3-acetoxy-1-acetyl-5-bromoindole,1h-indol-3-ol, 1-acetyl-5-bromo-, acetate ester,3-acetoxy-1-acetyl-5-bromo-indole,1h-indol-3-ol, 1-acetyl-5-bromo-, acetate,pubchem16263 PubChem CID: 118505 IUPAC Name: (1-acetyl-5-bromoindol-3-yl) acetate SMILES: CC(=O)N1C=C(C2=C1C=CC(=C2)Br)OC(=O)C
| PubChem CID | 118505 |
|---|---|
| CAS | 33588-54-4 |
| Molecular Weight (g/mol) | 296.12 |
| MDL Number | MFCD00005799 |
| SMILES | CC(=O)N1C=C(C2=C1C=CC(=C2)Br)OC(=O)C |
| Synonym | 5-bromoindoxyl diacetate,1-acetyl-5-bromo-1h-indol-3-yl acetate,5-bromoindoxyldiacetate,n-acetyl-5-bromoindolyl acetate,1-acetyl-3-acetyloxy-5-bromoindole,3-acetoxy-1-acetyl-5-bromoindole,1h-indol-3-ol, 1-acetyl-5-bromo-, acetate ester,3-acetoxy-1-acetyl-5-bromo-indole,1h-indol-3-ol, 1-acetyl-5-bromo-, acetate,pubchem16263 |
| IUPAC Name | (1-acetyl-5-bromoindol-3-yl) acetate |
| InChI Key | XJRIDJAGAYGJCK-UHFFFAOYSA-N |
| Molecular Formula | C12H10BrNO3 |
Propyl Gallate, NF, 98-102%, Spectrum™ Chemical
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CAS: 121-79-9 Molecular Weight (g/mol): 212.2 InChI Key: ZTHYODDOHIVTJV-UHFFFAOYSA-N IUPAC Name: propyl 3,4,5-trihydroxybenzoate SMILES: CCCOC(=O)C1=CC(O)=C(O)C(O)=C1
| CAS | 121-79-9 |
|---|---|
| Molecular Weight (g/mol) | 212.2 |
| SMILES | CCCOC(=O)C1=CC(O)=C(O)C(O)=C1 |
| IUPAC Name | propyl 3,4,5-trihydroxybenzoate |
| InChI Key | ZTHYODDOHIVTJV-UHFFFAOYSA-N |
1,2,4-Benzenetricarboxylic acid, 98%
CAS: 528-44-9 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.14 MDL Number: MFCD00002470 InChI Key: ARCGXLSVLAOJQL-UHFFFAOYSA-N Synonym: 1,2,4-benzenetricarboxylic acid,trimellitic acid,1,2,4-tricarboxybenzene,4-carboxyphthalic acid,1,3,4-benzenetricarboxylic acid,1,4,5-benzenetricarboxylic acid,1,2,4-benzenetricarboxylicacid,unii-7nvy29mq5f,7nvy29mq5f,dsstox_cid_1487 PubChem CID: 10708 ChEBI: CHEBI:166055 IUPAC Name: benzene-1,2,4-tricarboxylic acid SMILES: OC(=O)C1=CC=C(C(O)=O)C(=C1)C(O)=O
| PubChem CID | 10708 |
|---|---|
| CAS | 528-44-9 |
| Molecular Weight (g/mol) | 210.14 |
| ChEBI | CHEBI:166055 |
| MDL Number | MFCD00002470 |
| SMILES | OC(=O)C1=CC=C(C(O)=O)C(=C1)C(O)=O |
| Synonym | 1,2,4-benzenetricarboxylic acid,trimellitic acid,1,2,4-tricarboxybenzene,4-carboxyphthalic acid,1,3,4-benzenetricarboxylic acid,1,4,5-benzenetricarboxylic acid,1,2,4-benzenetricarboxylicacid,unii-7nvy29mq5f,7nvy29mq5f,dsstox_cid_1487 |
| IUPAC Name | benzene-1,2,4-tricarboxylic acid |
| InChI Key | ARCGXLSVLAOJQL-UHFFFAOYSA-N |
| Molecular Formula | C9H6O6 |
Phosphoenolpyruvic acid, trisodium salt hydrate, MP Biomedicals™
CAS: 5541-93-5 Molecular Formula: C3H2Na3O6P Molecular Weight (g/mol): 233.986 InChI Key: RJUFBDMHZGRGMA-UHFFFAOYSA-K Synonym: 2-propenoic acid, 2-phosphonooxy-, trisodium salt,trisodium 2-phosphonatooxy prop-2-enoate,unii-78y3q07j1x,phosphoenolpyruvate trisodium salt,2-phosphoenol pyruvate na3salt,2-propenoic acid, 2-phosphonooxy-, sodium salt 1:3,trisodium phosphonatoenolpyruvate,trisodium 2-phosphonatoacrylate,trisodium phosphoenolpyruvate,c3h2o6p.3na PubChem CID: 79673 IUPAC Name: trisodium;2-phosphonatooxyprop-2-enoate SMILES: C=C(C(=O)[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+]
| PubChem CID | 79673 |
|---|---|
| CAS | 5541-93-5 |
| Molecular Weight (g/mol) | 233.986 |
| SMILES | C=C(C(=O)[O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+] |
| Synonym | 2-propenoic acid, 2-phosphonooxy-, trisodium salt,trisodium 2-phosphonatooxy prop-2-enoate,unii-78y3q07j1x,phosphoenolpyruvate trisodium salt,2-phosphoenol pyruvate na3salt,2-propenoic acid, 2-phosphonooxy-, sodium salt 1:3,trisodium phosphonatoenolpyruvate,trisodium 2-phosphonatoacrylate,trisodium phosphoenolpyruvate,c3h2o6p.3na |
| IUPAC Name | trisodium;2-phosphonatooxyprop-2-enoate |
| InChI Key | RJUFBDMHZGRGMA-UHFFFAOYSA-K |
| Molecular Formula | C3H2Na3O6P |
methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate hydrochloride, Thermo Scientific™
CAS: 180258-45-1 Molecular Formula: C7H11ClN2O2 Molecular Weight (g/mol): 190.63 MDL Number: MFCD01318761 InChI Key: HEOKCJUUKIPIMM-UHFFFAOYSA-N Synonym: methyl 4-amino-1-methyl-1h-pyrrole-2-carboxylate hydrochloride,methyl 4-amino-1-methylpyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate hydrochloride,4-amino-1-methyl-1h-pyrrole-2-carboxylic acid-methyl ester hcl,4-amino-1-methylpyrrole-2-carboxylic acid methyl ester hydrochloride,h-nh 4-mepyl-2-ome hcl,methyl 4-amino-1-methyl-pyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate, hcl,n-methyl-2-carbomethoxy-4-aminopyrrole hydrochloride,3-amino-1-methyl-5-methyloxycarbonylpyrrol hydrochloride PubChem CID: 2794656 SMILES: Cl.COC(=O)C1=CC(N)=CN1C
| PubChem CID | 2794656 |
|---|---|
| CAS | 180258-45-1 |
| Molecular Weight (g/mol) | 190.63 |
| MDL Number | MFCD01318761 |
| SMILES | Cl.COC(=O)C1=CC(N)=CN1C |
| Synonym | methyl 4-amino-1-methyl-1h-pyrrole-2-carboxylate hydrochloride,methyl 4-amino-1-methylpyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate hydrochloride,4-amino-1-methyl-1h-pyrrole-2-carboxylic acid-methyl ester hcl,4-amino-1-methylpyrrole-2-carboxylic acid methyl ester hydrochloride,h-nh 4-mepyl-2-ome hcl,methyl 4-amino-1-methyl-pyrrole-2-carboxylate hydrochloride,methyl-4-amino-1-methyl pyrrole-2-carboxylate, hcl,n-methyl-2-carbomethoxy-4-aminopyrrole hydrochloride,3-amino-1-methyl-5-methyloxycarbonylpyrrol hydrochloride |
| InChI Key | HEOKCJUUKIPIMM-UHFFFAOYSA-N |
| Molecular Formula | C7H11ClN2O2 |
Ethyl Benzoate, 99%, Spectrum™ Chemical
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CAS: 93-89-0
| CAS | 93-89-0 |
|---|
Methyl 3,4-diaminobenzoate, 98%
CAS: 36692-49-6 Molecular Formula: C8H10N2O2 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00017098 InChI Key: IOPLHGOSNCJOOO-UHFFFAOYSA-N Synonym: 3,4-diaminobenzoic acid methyl ester,methyl3,4-diaminobenzoate,methyl-3,4-diaminobenzoate,benzoic acid, 3,4-diamino-, methyl ester,3,4-diamino-benzoic acid methyl ester,methyl 3,4-diaminobenzenecarboxylate,pubchem4610,acmc-1bn7s,methyl 3,4-diamino-benzoate,methyl-3,4-diamino-benzoate PubChem CID: 135524 IUPAC Name: methyl 3,4-diaminobenzoate SMILES: COC(=O)C1=CC=C(N)C(N)=C1
| PubChem CID | 135524 |
|---|---|
| CAS | 36692-49-6 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00017098 |
| SMILES | COC(=O)C1=CC=C(N)C(N)=C1 |
| Synonym | 3,4-diaminobenzoic acid methyl ester,methyl3,4-diaminobenzoate,methyl-3,4-diaminobenzoate,benzoic acid, 3,4-diamino-, methyl ester,3,4-diamino-benzoic acid methyl ester,methyl 3,4-diaminobenzenecarboxylate,pubchem4610,acmc-1bn7s,methyl 3,4-diamino-benzoate,methyl-3,4-diamino-benzoate |
| IUPAC Name | methyl 3,4-diaminobenzoate |
| InChI Key | IOPLHGOSNCJOOO-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O2 |