4-(3-nitrophenyl)-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-(3-nitrophenyl)-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
4-(3-nitrophenyl)-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7388 |
| Compound Name: | 4-(3-nitrophenyl)-7-[(3-oxobutan-2-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 353.33 |
| Molecular Formula: | C19 H15 N O6 |
| Smiles: | CC(C(C)=O)Oc1ccc2C(=CC(=O)Oc2c1)c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0314 |
| logD: | 3.0314 |
| logSw: | -3.5996 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.371 |
| InChI Key: | DKNRTPRVEOWASV-LBPRGKRZSA-N |