1-[(3-methoxyphenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-[(3-methoxyphenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
1-[(3-methoxyphenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0587 |
| Compound Name: | 1-[(3-methoxyphenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 247.25 |
| Molecular Formula: | C12 H13 N3 O3 |
| Smiles: | Cc1c(C(O)=O)nnn1Cc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 0.7858 |
| logD: | -3.291 |
| logSw: | -1.3759 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.897 |
| InChI Key: | FVHZNYHBOIHKTF-UHFFFAOYSA-N |