5-(2-methylprop-2-enamido)benzene-1,3-dicarboxylic acid
Chemical Structure Depiction of
5-(2-methylprop-2-enamido)benzene-1,3-dicarboxylic acid
5-(2-methylprop-2-enamido)benzene-1,3-dicarboxylic acid
Compound characteristics
| Compound ID: | 2036-0581 |
| Compound Name: | 5-(2-methylprop-2-enamido)benzene-1,3-dicarboxylic acid |
| Molecular Weight: | 249.22 |
| Molecular Formula: | C12 H11 N O5 |
| Smiles: | CC(=C)C(Nc1cc(cc(c1)C(O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7054 |
| logD: | -0.658 |
| logSw: | -2.7915 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.418 |
| InChI Key: | NVOBVSWSDYFEMR-UHFFFAOYSA-N |