2-oxo-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-4-yl acetate
Chemical Structure Depiction of
2-oxo-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-4-yl acetate
2-oxo-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-4-yl acetate
Compound characteristics
| Compound ID: | 0096-0291 |
| Compound Name: | 2-oxo-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-4-yl acetate |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C21 H18 O5 |
| Smiles: | CC(CC(C1=C(c2ccccc2OC1=O)OC(C)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7142 |
| logD: | 2.7142 |
| logSw: | -3.3418 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.292 |
| InChI Key: | AZJMOTKZYSVMRV-KRWDZBQOSA-N |