3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate
Chemical Structure Depiction of
3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate
3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate
Compound characteristics
| Compound ID: | 3289-8847 |
| Compound Name: | 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate |
| Molecular Weight: | 292.25 |
| Molecular Formula: | C13 H12 N2 O6 |
| Smiles: | CC(=O)OCCCN1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4423 |
| logD: | 1.4423 |
| logSw: | -2.2798 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.272 |
| InChI Key: | UJYHJTCXAOOBPT-UHFFFAOYSA-N |