2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide
Basic information
- CAS
37436-17-2- Standard SMILES
[O-][N+]1=NC2C=CC1CC2- InChIKey
REZPTDSIISBQTI-UHFFFAOYSA-N- Molecular formula
- C6H8N2O
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.06366288
Names & identifiers
- Preferred name
- 2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide
- IUPAC
- 2-oxido-3-aza-2-azoniabicyclo[2.2.2]octa-2,5-diene
Names & synonyms
2,3-Diazabicyclo(2.2.2)octa-2,5-diene N-oxide2,3-Diazabicyclo[2.2.2]octa-2,5-diene N-oxide37436-17-2
Database identifiers
- CAS
37436-17-2- PubChem CID
- 142160
- DTXSID
DTXSID70958529- Nikkaji
- J1.451.689A
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 185
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Compound notes
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