4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
Chemical Structure Depiction of
4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
4-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
Compound characteristics
| Compound ID: | 2999-1715 |
| Compound Name: | 4-(5-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(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4427 |
| logD: | -2.3709 |
| logSw: | -2.1251 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.507 |
| InChI Key: | DVNZSMVITJTPOD-UHFFFAOYSA-N |