4-(3,5-dimethylanilino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(3,5-dimethylanilino)-4-oxobut-2-enoic acid
4-(3,5-dimethylanilino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K783-3480 |
| Compound Name: | 4-(3,5-dimethylanilino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 219.24 |
| Molecular Formula: | C12 H13 N O3 |
| Smiles: | Cc1cc(C)cc(c1)NC(\C=C/C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.227 |
| logD: | -2.2314 |
| logSw: | -2.493 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.772 |
| InChI Key: | RMPBFVIFASQTTQ-UHFFFAOYSA-N |