2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid
2-(3-methyl-1-benzothiophene-2-carbonyl)benzoic acid
Also Known As: Maybridge1_005589|Oprea1_176358|DivK1c_001877|2-(3-methyl-1-benzothiophene-2-carbonyl)benzoic acid|2-[(3-methylbenzo[b]thiophen-2-yl)carbonyl]benzoic acid|HMS557G01|CDS1_000837|2-(3-methylbenzothiophene-2-carbonyl)benzoic acid|Benzoicacid, 2-[(3-methylbenzo[b]thien-2-yl)carbonyl]-|Benzoic acid, 2-[(3-methylbenzo[b]thien-2-yl)carbonyl]-|SR-01000635067-1|I14-34995|2-[(3-Methylbenzo[b]thiophen -2-yl)carbonyl]benzoic acid|2-[(3-MethylbenZo[b]thiophene-2-yl carbonyl] benZoic acid|2-[(3-METHYLBENZO[B]THIOPHEN-2-YL)CARBONYL]BENZOICACID
| Molecular Formula | C17H12O3S |
|---|---|
| Molecular Weight | 296.05072 g/mol |
| LogP | 4.13892 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.05072 |
| Monoisotopic Mass | 296.05072 |
| Heavy Atoms | 21 |
| Complexity | 861.35266 |
Chemical Identifiers
| CAS Number | 175203-98-2 |
|---|---|
| SMILES | CC1=C(SC2=CC=CC=C12)C(=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-(3-Methyl-1-benzothiophene-2-carbonyl)benzoic acid (CAS 175203-98-2), with molecular formula C17H12O3S and molecular weight 296.05072 g/mol. IUPAC: 2-(3-methyl-1-benzothiophene-2-carbonyl)benzoic acid.