methyl (6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
methyl (6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Compound characteristics
| Compound ID: | 5436-1261 |
| Compound Name: | methyl (6-chloro-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate |
| Molecular Weight: | 282.68 |
| Molecular Formula: | C13 H11 Cl O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 2.5841 |
| logD: | 2.2567 |
| logSw: | -2.8093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.287 |
| InChI Key: | IJJCPMHDLTXVKA-UHFFFAOYSA-N |