4-(3-nitrophenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile
Chemical Structure Depiction of
4-(3-nitrophenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile
4-(3-nitrophenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile
Compound characteristics
| Compound ID: | 8019-9803 |
| Compound Name: | 4-(3-nitrophenyl)-4-oxobutane-1,1,2,2-tetracarbonitrile |
| Molecular Weight: | 293.24 |
| Molecular Formula: | C14 H7 N5 O3 |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)C(C#N)(C#N)C(C#N)C#N |
| Stereo: | ACHIRAL |
| logP: | 1.1236 |
| logD: | -2.8849 |
| logSw: | -2.0351 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 115.092 |
| InChI Key: | NXFLHPYIOBSMEN-UHFFFAOYSA-N |