methyl {7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2506 |
| Compound Name: | methyl {7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 430.84 |
| Molecular Formula: | C22 H19 Cl O7 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2C)OCc1cc2c(cc1[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.5498 |
| logD: | 4.5498 |
| logSw: | -4.6748 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.853 |
| InChI Key: | ZYFGLKNBKFXSHI-UHFFFAOYSA-N |