ethyl (6-chloro-7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)acetate
Chemical Structure Depiction of
ethyl (6-chloro-7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)acetate
ethyl (6-chloro-7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)acetate
Compound characteristics
| Compound ID: | D715-2578 |
| Compound Name: | ethyl (6-chloro-7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)acetate |
| Molecular Weight: | 282.68 |
| Molecular Formula: | C13 H11 Cl O5 |
| Smiles: | CCOC(CC1=CC(=O)Oc2cc(c(cc12)[Cl])O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4189 |
| logD: | 2.0916 |
| logSw: | -2.966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.353 |
| InChI Key: | QKMSHXDDPDQVJR-UHFFFAOYSA-N |