1-(2H-1,3-benzodioxol-5-yl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid
1-(2H-1,3-benzodioxol-5-yl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0175 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 277.23 |
| Molecular Formula: | C12 H11 N3 O5 |
| Smiles: | COCc1c(C(O)=O)nnn1c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 0.4936 |
| logD: | -6.5806 |
| logSw: | -1.5553 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.539 |
| InChI Key: | HMEXKJKGPMEYKS-UHFFFAOYSA-N |