4-[methyl(3-methylphenyl)amino]-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-[methyl(3-methylphenyl)amino]-4-oxobut-2-enoic acid
4-[methyl(3-methylphenyl)amino]-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | K783-4725 |
| Compound Name: | 4-[methyl(3-methylphenyl)amino]-4-oxobut-2-enoic acid |
| Molecular Weight: | 219.24 |
| Molecular Formula: | C12 H13 N O3 |
| Smiles: | Cc1cccc(c1)N(C)C(/C=C/C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6681 |
| logD: | -2.5894 |
| logSw: | -1.7675 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.736 |
| InChI Key: | AGXHSFLPIWWWBP-UHFFFAOYSA-N |