4-(4H-1,2,4-triazol-4-yl)benzene-1,2-dicarboxylic acid
Chemical Structure Depiction of
4-(4H-1,2,4-triazol-4-yl)benzene-1,2-dicarboxylic acid
4-(4H-1,2,4-triazol-4-yl)benzene-1,2-dicarboxylic acid
Compound characteristics
| Compound ID: | 8020-4285 |
| Compound Name: | 4-(4H-1,2,4-triazol-4-yl)benzene-1,2-dicarboxylic acid |
| Molecular Weight: | 233.18 |
| Molecular Formula: | C10 H7 N3 O4 |
| Smiles: | c1cc(C(O)=O)c(cc1n1cnnc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3839 |
| logD: | -5.1255 |
| logSw: | -1.9809 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.087 |
| InChI Key: | YKNDMJGRJBXXCM-UHFFFAOYSA-N |