5-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid
5-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 8001-7255 |
| Compound Name: | 5-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 356.25 |
| Molecular Formula: | C16 H8 N2 O8 |
| Smiles: | c1cc2C(N(C(c2cc1[N+]([O-])=O)=O)c1cc(cc(c1)C(O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5638 |
| logD: | -0.6031 |
| logSw: | -2.7171 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.078 |
| InChI Key: | NCCMKBRTIATIBC-UHFFFAOYSA-N |