4-(3-nitrophenyl)-4-oxobutanoic acid
Chemical Structure Depiction of
4-(3-nitrophenyl)-4-oxobutanoic acid
4-(3-nitrophenyl)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y204-3374 |
| Compound Name: | 4-(3-nitrophenyl)-4-oxobutanoic acid |
| Molecular Weight: | 223.18 |
| Molecular Formula: | C10 H9 N O5 |
| Smiles: | C(CC(c1cccc(c1)[N+]([O-])=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5156 |
| logD: | -1.2448 |
| logSw: | -1.7859 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.251 |
| InChI Key: | VNDVLOPITGDGOG-UHFFFAOYSA-N |