methyl {4,8-dimethyl-2-oxo-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {4,8-dimethyl-2-oxo-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-3-yl}acetate
methyl {4,8-dimethyl-2-oxo-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2540 |
| Compound Name: | methyl {4,8-dimethyl-2-oxo-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 332.35 |
| Molecular Formula: | C18 H20 O6 |
| Smiles: | CC(C(C)=O)Oc1ccc2C(C)=C(CC(=O)OC)C(=O)Oc2c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7863 |
| logD: | 2.7863 |
| logSw: | -3.1004 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.126 |
| InChI Key: | HZKKCBZVJPSHOC-LBPRGKRZSA-N |