6-chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid
Chemical Structure Depiction of
6-chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid
6-chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid
Compound characteristics
| Compound ID: | 8019-7782 |
| Compound Name: | 6-chloro-4-oxo-4H-1-benzopyran-2-carboxylic acid |
| Molecular Weight: | 224.6 |
| Molecular Formula: | C10 H5 Cl O4 |
| Smiles: | C1=C(C(O)=O)Oc2ccc(cc2C1=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.0918 |
| logD: | -1.5367 |
| logSw: | -2.843 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.465 |
| InChI Key: | HALQFUWRVXLBIS-UHFFFAOYSA-N |