1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | C200-8624 |
| Compound Name: | 1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 231.25 |
| Molecular Formula: | C12 H13 N3 O2 |
| Smiles: | Cc1ccc(cc1C)n1c(C)c(C(O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 1.9653 |
| logD: | -4.202 |
| logSw: | -2.0859 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.49 |
| InChI Key: | ZZNMRJYFSRJEJR-UHFFFAOYSA-N |