5,5-Dinitro-1,3-dioxane
5,5-dinitro-1,3-dioxane
Also Known As: 5,5-Dinitro-1,3-dioxane|5,3-dioxane|1,3-Dioxane, 5,5-dinitro-|Oprea1_585669|1,3-Dioxane,5,5-dinitro|NCI60_027660|AH-034/11366092|SR-01000637865-1
CAS: 4776-97-0
| Molecular Formula | C4H6N2O6 |
|---|---|
| Molecular Weight | 178.02258 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.02258 |
| Monoisotopic Mass | 178.02258 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 4776-97-0 |
|---|---|
| SMILES | C1C(COCO1)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RDADUROBQIJEIM-UHFFFAOYSA-N |
Product Overview
5,5-Dinitro-1,3-dioxane (CAS 4776-97-0), with molecular formula C4H6N2O6 and molecular weight 178.02258 g/mol. IUPAC: 5,5-dinitro-1,3-dioxane.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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