ethyl 3-{4-methyl-2-oxo-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{4-methyl-2-oxo-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{4-methyl-2-oxo-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | Y040-0604 |
| Compound Name: | ethyl 3-{4-methyl-2-oxo-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C19 H22 O6 |
| Smiles: | CCOC(CCC1=C(C)c2ccc(cc2OC1=O)OC(C)C(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9444 |
| logD: | 2.9444 |
| logSw: | -3.2419 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.935 |
| InChI Key: | PYBPLRQYIVMPMJ-ZDUSSCGKSA-N |