1-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-1H-1,2,3-triazole-4-carboxylic acid
1-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | S553-0443 |
| Compound Name: | 1-[2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyethyl]-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 277.23 |
| Molecular Formula: | C12 H11 N3 O5 |
| Smiles: | C(C(c1ccc2c(c1)OCO2)O)n1cc(C(O)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0199 |
| logD: | -4.3665 |
| logSw: | -1.3306 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.427 |
| InChI Key: | YIRFGWPBRTWPDC-VIFPVBQESA-N |