4-methyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-methyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
4-methyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-7906 |
| Compound Name: | 4-methyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 311.29 |
| Molecular Formula: | C17 H13 N O5 |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3948 |
| logD: | 3.3948 |
| logSw: | -3.9542 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.255 |
| InChI Key: | VRNBIJBFDMJWTP-UHFFFAOYSA-N |