4-(4-nitroanilino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(4-nitroanilino)-4-oxobut-2-enoic acid
4-(4-nitroanilino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K781-3431 |
| Compound Name: | 4-(4-nitroanilino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 236.18 |
| Molecular Formula: | C10 H8 N2 O5 |
| Smiles: | C(=C/C(Nc1ccc(cc1)[N+]([O-])=O)=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4597 |
| logD: | -2.9987 |
| logSw: | -2.1489 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.153 |
| InChI Key: | AZVWYXUTXSTOQY-UHFFFAOYSA-N |