methyl (6-chloro-7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)acetate
Chemical Structure Depiction of
methyl (6-chloro-7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)acetate
methyl (6-chloro-7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)acetate
Compound characteristics
Compound ID: | Y041-3682 |
Compound Name: | methyl (6-chloro-7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)acetate |
Molecular Weight: | 268.65 |
Molecular Formula: | C12 H9 Cl O5 |
Smiles: | COC(CC1=CC(=O)Oc2cc(c(cc12)[Cl])O)=O |
Stereo: | ACHIRAL |
logP: | 1.9663 |
logD: | 1.6389 |
logSw: | -2.7564 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.773 |
InChI Key: | MORRRYNOGWBERD-UHFFFAOYSA-N |