methyl (6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
methyl (6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Compound characteristics
| Compound ID: | Y041-3718 |
| Compound Name: | methyl (6-chloro-7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate |
| Molecular Weight: | 296.7 |
| Molecular Formula: | C14 H13 Cl O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 2.933 |
| logD: | 2.933 |
| logSw: | -3.3415 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.369 |
| InChI Key: | NEUARLGDLFWOSU-UHFFFAOYSA-N |