methyl {6-chloro-4-methyl-2-oxo-7-[(propan-2-yl)oxy]-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {6-chloro-4-methyl-2-oxo-7-[(propan-2-yl)oxy]-2H-1-benzopyran-3-yl}acetate
methyl {6-chloro-4-methyl-2-oxo-7-[(propan-2-yl)oxy]-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2306 |
| Compound Name: | methyl {6-chloro-4-methyl-2-oxo-7-[(propan-2-yl)oxy]-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 324.76 |
| Molecular Formula: | C16 H17 Cl O5 |
| Smiles: | CC(C)Oc1cc2c(cc1[Cl])C(C)=C(CC(=O)OC)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.7235 |
| logD: | 3.7235 |
| logSw: | -4.0754 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.628 |
| InChI Key: | ZTWBMENIHZTVNF-UHFFFAOYSA-N |