methyl [6-chloro-4-methyl-2-oxo-7-(2-oxopropoxy)-2H-1-benzopyran-3-yl]acetate
Chemical Structure Depiction of
methyl [6-chloro-4-methyl-2-oxo-7-(2-oxopropoxy)-2H-1-benzopyran-3-yl]acetate
methyl [6-chloro-4-methyl-2-oxo-7-(2-oxopropoxy)-2H-1-benzopyran-3-yl]acetate
Compound characteristics
| Compound ID: | Y040-2300 |
| Compound Name: | methyl [6-chloro-4-methyl-2-oxo-7-(2-oxopropoxy)-2H-1-benzopyran-3-yl]acetate |
| Molecular Weight: | 338.74 |
| Molecular Formula: | C16 H15 Cl O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OCC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3907 |
| logD: | 2.3907 |
| logSw: | -3.0339 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.66 |
| InChI Key: | LDESQLZCYMTUIB-UHFFFAOYSA-N |