1-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
1-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0172 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 247.21 |
| Molecular Formula: | C11 H9 N3 O4 |
| Smiles: | Cc1c(C(O)=O)nnn1c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 0.7886 |
| logD: | -5.3787 |
| logSw: | -1.5504 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.605 |
| InChI Key: | OOBITTXDOOFFAZ-UHFFFAOYSA-N |