methyl [7-(acetyloxy)-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate
Chemical Structure Depiction of
methyl [7-(acetyloxy)-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate
methyl [7-(acetyloxy)-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate
Compound characteristics
| Compound ID: | Y040-4235 |
| Compound Name: | methyl [7-(acetyloxy)-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate |
| Molecular Weight: | 324.72 |
| Molecular Formula: | C15 H13 Cl O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4026 |
| logD: | 2.4026 |
| logSw: | -3.0402 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.577 |
| InChI Key: | QLQUCVOQUVOXOX-UHFFFAOYSA-N |