1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0117 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 263.25 |
| Molecular Formula: | C12 H13 N3 O4 |
| Smiles: | Cc1c(C(O)=O)nnn1c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 0.4904 |
| logD: | -5.6769 |
| logSw: | -1.5824 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.75 |
| InChI Key: | GFMNKKWFWCWILM-UHFFFAOYSA-N |