3-(3,5-dinitro-1H-1,2,4-triazol-1-yl)propanoic acid
Chemical Structure Depiction of
3-(3,5-dinitro-1H-1,2,4-triazol-1-yl)propanoic acid
3-(3,5-dinitro-1H-1,2,4-triazol-1-yl)propanoic acid
Compound characteristics
| Compound ID: | 8006-9270 |
| Compound Name: | 3-(3,5-dinitro-1H-1,2,4-triazol-1-yl)propanoic acid |
| Molecular Weight: | 231.12 |
| Molecular Formula: | C5 H5 N5 O6 |
| Smiles: | C(Cn1c(nc(n1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.177 |
| logD: | -4.0101 |
| logSw: | -0.3468 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.889 |
| InChI Key: | MXMMSGADSOOUNJ-UHFFFAOYSA-N |