Stk279704
7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid
Also Known As: 7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid|7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid|7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid|W-7498|7-oxo-5,6-dihydro-4H-benzothiophene-3-carboxylic Acid|7-oxo-4,5,6-trihydrobenzo[b]thiophene-3-carboxylic acid|7-Oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid|7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylicacid
| Molecular Formula | C9H8O3S |
|---|---|
| Molecular Weight | 196.01941 g/mol |
| LogP | 1.9653 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.01941 |
| Monoisotopic Mass | 196.01941 |
| Heavy Atoms | 13 |
| Complexity | 364.71158 |
Chemical Identifiers
| CAS Number | 96334-46-2 |
|---|---|
| SMILES | C1CC2=C(C(=O)C1)SC=C2C(=O)O |
Product Overview
Stk279704 (CAS 96334-46-2), with molecular formula C9H8O3S and molecular weight 196.01941 g/mol. IUPAC: 7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid.
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