methyl (7-butoxy-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (7-butoxy-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
methyl (7-butoxy-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Compound characteristics
| Compound ID: | Y040-2304 |
| Compound Name: | methyl (7-butoxy-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate |
| Molecular Weight: | 338.79 |
| Molecular Formula: | C17 H19 Cl O5 |
| Smiles: | CCCCOc1cc2c(cc1[Cl])C(C)=C(CC(=O)OC)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.5132 |
| logD: | 4.5132 |
| logSw: | -4.6925 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.243 |
| InChI Key: | AAUFAFZPLOTYSS-UHFFFAOYSA-N |