methyl (6-chloro-4-methyl-2-oxo-7-propoxy-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (6-chloro-4-methyl-2-oxo-7-propoxy-2H-1-benzopyran-3-yl)acetate
methyl (6-chloro-4-methyl-2-oxo-7-propoxy-2H-1-benzopyran-3-yl)acetate
Compound characteristics
| Compound ID: | Y040-2303 |
| Compound Name: | methyl (6-chloro-4-methyl-2-oxo-7-propoxy-2H-1-benzopyran-3-yl)acetate |
| Molecular Weight: | 324.76 |
| Molecular Formula: | C16 H17 Cl O5 |
| Smiles: | CCCOc1cc2c(cc1[Cl])C(C)=C(CC(=O)OC)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.0403 |
| logD: | 4.0403 |
| logSw: | -4.44 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.243 |
| InChI Key: | DNHPXNNIEMTIBU-UHFFFAOYSA-N |