5-hydroxy-2,2-dimethyl-7-[(4-nitrophenyl)methoxy]-2,3-dihydro-4H-1-benzopyran-4-one
Chemical Structure Depiction of
5-hydroxy-2,2-dimethyl-7-[(4-nitrophenyl)methoxy]-2,3-dihydro-4H-1-benzopyran-4-one
5-hydroxy-2,2-dimethyl-7-[(4-nitrophenyl)methoxy]-2,3-dihydro-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-1462 |
| Compound Name: | 5-hydroxy-2,2-dimethyl-7-[(4-nitrophenyl)methoxy]-2,3-dihydro-4H-1-benzopyran-4-one |
| Molecular Weight: | 343.33 |
| Molecular Formula: | C18 H17 N O6 |
| Smiles: | CC1(C)CC(c2c(cc(cc2O1)OCc1ccc(cc1)[N+]([O-])=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5113 |
| logD: | 3.5108 |
| logSw: | -3.8853 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.976 |
| InChI Key: | NFWIFECWFBOFCT-UHFFFAOYSA-N |