methyl [(6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetate
Chemical Structure Depiction of
methyl [(6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetate
methyl [(6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y040-0089 |
| Compound Name: | methyl [(6-chloro-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]acetate |
| Molecular Weight: | 310.73 |
| Molecular Formula: | C15 H15 Cl O5 |
| Smiles: | CCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2468 |
| logD: | 3.2468 |
| logSw: | -3.6505 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.81 |
| InChI Key: | XIISVZGAHJUDCZ-UHFFFAOYSA-N |