3-(4H-1,2,4-triazol-4-yl)benzene-1,2-dicarboxylic acid
Chemical Structure Depiction of
3-(4H-1,2,4-triazol-4-yl)benzene-1,2-dicarboxylic acid
3-(4H-1,2,4-triazol-4-yl)benzene-1,2-dicarboxylic acid
Compound characteristics
| Compound ID: | 8020-2337 |
| Compound Name: | 3-(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(C(O)=O)c(c1)n1cnnc1 |
| Stereo: | ACHIRAL |
| logP: | 0.3404 |
| logD: | -5.169 |
| logSw: | -2.0714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.786 |
| InChI Key: | QQAQBGQPFAIAPQ-UHFFFAOYSA-N |