1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0116 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 249.22 |
| Molecular Formula: | C11 H11 N3 O4 |
| Smiles: | COc1ccc(cc1OC)n1cc(C(O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.5784 |
| logD: | -5.6118 |
| logSw: | -1.5465 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.273 |
| InChI Key: | IPQYYIKJFQEKNN-UHFFFAOYSA-N |