4-(2-hydroxy-5-methylanilino)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-(2-hydroxy-5-methylanilino)-4-oxobut-2-enoic acid
4-(2-hydroxy-5-methylanilino)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | C798-0004 |
| Compound Name: | 4-(2-hydroxy-5-methylanilino)-4-oxobut-2-enoic acid |
| Molecular Weight: | 221.21 |
| Molecular Formula: | C11 H11 N O4 |
| Smiles: | Cc1ccc(c(c1)NC(/C=C/C(O)=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.4732 |
| logD: | -2.9851 |
| logSw: | -1.9322 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.622 |
| InChI Key: | RSJIKWWWSZKTRO-UHFFFAOYSA-N |