1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-4-carboxylic acid
1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0171 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 233.18 |
| Molecular Formula: | C10 H7 N3 O4 |
| Smiles: | C1Oc2ccc(cc2O1)n1cc(C(O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.8766 |
| logD: | -5.3137 |
| logSw: | -1.5242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.127 |
| InChI Key: | YUYCLVNJAVSCHH-UHFFFAOYSA-N |