dimethyl 2,2'-(3-nitro-5-oxo-1H-1,2,4-triazole-1,4(5H)-diyl)diacetate
Chemical Structure Depiction of
dimethyl 2,2'-(3-nitro-5-oxo-1H-1,2,4-triazole-1,4(5H)-diyl)diacetate
dimethyl 2,2'-(3-nitro-5-oxo-1H-1,2,4-triazole-1,4(5H)-diyl)diacetate
Compound characteristics
| Compound ID: | 8014-1270 |
| Compound Name: | dimethyl 2,2'-(3-nitro-5-oxo-1H-1,2,4-triazole-1,4(5H)-diyl)diacetate |
| Molecular Weight: | 274.19 |
| Molecular Formula: | C8 H10 N4 O7 |
| Smiles: | COC(CN1C(=NN(CC(=O)OC)C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.8095 |
| logD: | -0.8095 |
| logSw: | -0.2229 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 107.249 |
| InChI Key: | KPPXICBHKAOEPP-UHFFFAOYSA-N |