1-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
1-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | D296-0029 |
| Compound Name: | 1-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 217.22 |
| Molecular Formula: | C11 H11 N3 O2 |
| Smiles: | Cc1ccc(Cn2cc(C(O)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.2725 |
| logD: | -2.8273 |
| logSw: | -1.6425 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.16 |
| InChI Key: | FGWWLHMRGSFBNQ-UHFFFAOYSA-N |