7-methyl-3-(3-nitrobenzoyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
7-methyl-3-(3-nitrobenzoyl)-4H-1-benzopyran-4-one
7-methyl-3-(3-nitrobenzoyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 1436-0092 |
| Compound Name: | 7-methyl-3-(3-nitrobenzoyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 309.28 |
| Molecular Formula: | C17 H11 N O5 |
| Smiles: | Cc1ccc2C(C(=COc2c1)C(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4618 |
| logD: | 3.4618 |
| logSw: | -3.8295 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.98 |
| InChI Key: | BMMRGJQWYJUOER-UHFFFAOYSA-N |