3-(3-nitrophenyl)-3-oxopropanenitrile
Chemical Structure Depiction of
3-(3-nitrophenyl)-3-oxopropanenitrile
3-(3-nitrophenyl)-3-oxopropanenitrile
Compound characteristics
| Compound ID: | 8020-2382 |
| Compound Name: | 3-(3-nitrophenyl)-3-oxopropanenitrile |
| Molecular Weight: | 190.15 |
| Molecular Formula: | C9 H6 N2 O3 |
| Smiles: | C(C#N)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2583 |
| logD: | -0.0115 |
| logSw: | -2.0071 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.359 |
| InChI Key: | OTZUXMACTFIJAZ-UHFFFAOYSA-N |