4-nitro-2-[(oxolan-2-yl)methyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
4-nitro-2-[(oxolan-2-yl)methyl]-1H-isoindole-1,3(2H)-dione
4-nitro-2-[(oxolan-2-yl)methyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y501-0764 |
| Compound Name: | 4-nitro-2-[(oxolan-2-yl)methyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 276.25 |
| Molecular Formula: | C13 H12 N2 O5 |
| Smiles: | C1CC(CN2C(c3cccc(c3C2=O)[N+]([O-])=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4089 |
| logD: | 0.4089 |
| logSw: | -2.2445 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.226 |
| InChI Key: | VGQGSISDRCAWIM-MRVPVSSYSA-N |