2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoic acid
Chemical Structure Depiction of
2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoic acid
2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoic acid
Compound characteristics
| Compound ID: | 4483-3031 |
| Compound Name: | 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoic acid |
| Molecular Weight: | 306.27 |
| Molecular Formula: | C14 H14 N2 O6 |
| Smiles: | CCCCC(C(O)=O)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2064 |
| logD: | -2.9519 |
| logSw: | -2.2924 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.177 |
| InChI Key: | OKWNWDANXPWWHI-JTQLQIEISA-N |