4-(2-methoxy-4-nitroanilino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(2-methoxy-4-nitroanilino)-4-oxobut-2-enoic acid
4-(2-methoxy-4-nitroanilino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K781-3430 |
| Compound Name: | 4-(2-methoxy-4-nitroanilino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 266.21 |
| Molecular Formula: | C11 H10 N2 O6 |
| Smiles: | COc1cc(ccc1NC(/C=C/C(O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6481 |
| logD: | -2.8103 |
| logSw: | -2.1499 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.086 |
| InChI Key: | GMNCTMJKDGTIJZ-UHFFFAOYSA-N |