methyl {7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2573 |
| Compound Name: | methyl {7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 416.81 |
| Molecular Formula: | C21 H17 Cl O7 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.9747 |
| logD: | 3.9747 |
| logSw: | -4.4071 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.082 |
| InChI Key: | SGGLTPMHLBOCGJ-UHFFFAOYSA-N |