7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carboxylic acid
Chemical Structure Depiction of
7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carboxylic acid
7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carboxylic acid
Compound characteristics
| Compound ID: | Y043-8287 |
| Compound Name: | 7,8-dimethoxy-1-oxo-1H-2-benzothiopyran-3-carboxylic acid |
| Molecular Weight: | 266.27 |
| Molecular Formula: | C12 H10 O5 S |
| Smiles: | COc1ccc2C=C(C(O)=O)SC(c2c1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6774 |
| logD: | -2.0067 |
| logSw: | -2.0593 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.987 |
| InChI Key: | UZOICEKOYMNEAH-UHFFFAOYSA-N |