methyl {4,8-dimethyl-2-oxo-7-[(2-oxocyclohexyl)oxy]-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {4,8-dimethyl-2-oxo-7-[(2-oxocyclohexyl)oxy]-2H-1-benzopyran-3-yl}acetate
methyl {4,8-dimethyl-2-oxo-7-[(2-oxocyclohexyl)oxy]-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2555 |
| Compound Name: | methyl {4,8-dimethyl-2-oxo-7-[(2-oxocyclohexyl)oxy]-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 358.39 |
| Molecular Formula: | C20 H22 O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2C)OC1CCCCC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0203 |
| logD: | 3.0203 |
| logSw: | -3.1695 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.155 |
| InChI Key: | LAZSGRREJGHUCA-KRWDZBQOSA-N |