1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0190 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 275.26 |
| Molecular Formula: | C13 H13 N3 O4 |
| Smiles: | CCc1c(C(O)=O)nnn1c1ccc2c(c1)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 0.4257 |
| logD: | -5.4605 |
| logSw: | -1.5541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.823 |
| InChI Key: | OXDRUVZOJMEZLW-UHFFFAOYSA-N |