8-(chloromethyl)-7-methoxy-4-oxo-4H-1-benzopyran-2-carboxylic acid
Chemical Structure Depiction of
8-(chloromethyl)-7-methoxy-4-oxo-4H-1-benzopyran-2-carboxylic acid
8-(chloromethyl)-7-methoxy-4-oxo-4H-1-benzopyran-2-carboxylic acid
Compound characteristics
| Compound ID: | 0908-0058 |
| Compound Name: | 8-(chloromethyl)-7-methoxy-4-oxo-4H-1-benzopyran-2-carboxylic acid |
| Molecular Weight: | 268.65 |
| Molecular Formula: | C12 H9 Cl O5 |
| Smiles: | COc1ccc2C(C=C(C(O)=O)Oc2c1C[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9255 |
| logD: | -1.5022 |
| logSw: | -2.5061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.78 |
| InChI Key: | JOHKGHHWPZDVEU-UHFFFAOYSA-N |