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CAS No.: | 36479-80-8 |
---|---|
Name: | 2-oxo-3-aza-2-azoniabicyclo[2.2.2]octan-3-olate |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H10N2O2 |
Molecular Weight: | 142.158 |
Synonyms: | 2,3-Diazabicyclo[2.2.2]oct-2-ene-2,3-dioxide; |
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The 2,3-Diazabicyclo[2.2.2]oct-2-ene,2,3-dioxide is an organic compound with the formula C6H10N2O2. With the CAS registry number 36479-80-8, the IUPAC name of this chemical is 2-oxido-2-aza-3-azoniabicyclo[2.2.2]octane 3-oxide.
Physical properties about 2,3-Diazabicyclo[2.2.2]oct-2-ene,2,3-dioxide are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 43.55 Å2.
Preparation: this chemical can be prepared by 2,3-diaza-bicyclo[2.2.2]oct-2-ene. This reaction will need reagent oxone and solvent H2O. The reaction time is 7 days by heating. The yield is about 35%.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]N1[N+](=O)C2CCC1CC2
(2)InChI: InChI=1/C6H10N2O2/c9-7-5-1-2-6(4-3-5)8(7)10/h5-6H,1-4H2
(3)InChIKey: KQTDJBAPOKEJFF-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H10N2O2/c9-7-5-1-2-6(4-3-5)8(7)10/h5-6H,1-4H2
(5)Std. InChIKey: KQTDJBAPOKEJFF-UHFFFAOYSA-N