4-[2-(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-[2-(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid
4-[2-(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 6049-2992 |
| Compound Name: | 4-[2-(methoxycarbonyl)anilino]-4-oxobut-2-enoic acid |
| Molecular Weight: | 249.22 |
| Molecular Formula: | C12 H11 N O5 |
| Smiles: | COC(c1ccccc1NC(/C=C/C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5572 |
| logD: | -2.9012 |
| logSw: | -2.1332 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.248 |
| InChI Key: | DAPLTIRLFKBRQA-UHFFFAOYSA-N |