methyl [6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate
Chemical Structure Depiction of
methyl [6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate
methyl [6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate
Compound characteristics
| Compound ID: | Y040-2301 |
| Compound Name: | methyl [6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]acetate |
| Molecular Weight: | 380.82 |
| Molecular Formula: | C19 H21 Cl O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(c(cc12)[Cl])OCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0647 |
| logD: | 4.0647 |
| logSw: | -4.4038 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.572 |
| InChI Key: | XNGXPQWNAKTFLB-UHFFFAOYSA-N |