1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | C200-6428 |
| Compound Name: | 1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 247.25 |
| Molecular Formula: | C12 H13 N3 O3 |
| Smiles: | CCOc1ccc(cc1)n1c(C)c(C(O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 1.2068 |
| logD: | -4.9605 |
| logSw: | -1.9607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.613 |
| InChI Key: | IJBAUJDFTIIBAH-UHFFFAOYSA-N |