4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
Chemical Structure Depiction of
4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
Compound characteristics
| Compound ID: | 0632-0875 |
| Compound Name: | 4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid |
| Molecular Weight: | 278.22 |
| Molecular Formula: | C12 H10 N2 O6 |
| Smiles: | C(CC(O)=O)CN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4878 |
| logD: | -3.3014 |
| logSw: | -2.3384 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.206 |
| InChI Key: | IXBWSNDGYRTQSF-UHFFFAOYSA-N |