3-(6-nitro-1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
Chemical Structure Depiction of
3-(6-nitro-1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
3-(6-nitro-1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
Compound characteristics
| Compound ID: | 6360-0001 |
| Compound Name: | 3-(6-nitro-1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid |
| Molecular Weight: | 250.21 |
| Molecular Formula: | C11 H10 N2 O5 |
| Smiles: | C(CN1Cc2ccc(cc2C1=O)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0781 |
| logD: | -2.6176 |
| logSw: | -2.1757 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.9 |
| InChI Key: | IOYOGBORAPALCW-UHFFFAOYSA-N |