1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0192 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 291.26 |
| Molecular Formula: | C13 H13 N3 O5 |
| Smiles: | COCc1c(C(O)=O)nnn1c1ccc2c(c1)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | -0.367 |
| logD: | -7.4412 |
| logSw: | -1.4167 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.247 |
| InChI Key: | XPYBQEOYVHUUBV-UHFFFAOYSA-N |