8-benzoyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-methylpropanoate
Chemical Structure Depiction of
8-benzoyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-methylpropanoate
8-benzoyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | D060-0092 |
| Compound Name: | 8-benzoyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-methylpropanoate |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C21 H18 O5 |
| Smiles: | CC(C)C(=O)Oc1ccc2C(C)=CC(=O)Oc2c1C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8169 |
| logD: | 3.8169 |
| logSw: | -4.2885 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.533 |
| InChI Key: | UYNWUQLHIVVJDM-UHFFFAOYSA-N |