2-Methylidene-1-azabicyclo[2.2.2]octan-3-one;2,4,6-trinitrophenol
Basic information
- CAS
65541-32-4- Standard SMILES
C=C1C(=O)C2CCN1CC2.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
SKKSSPRRPUETIF-UHFFFAOYSA-N- Molecular formula
- C14H14N4O8
- Average molar mass
- 366.28 g/mol
- Monoisotopic mass
- 366.08116342
Names & identifiers
- Preferred name
- 2-Methylidene-1-azabicyclo[2.2.2]octan-3-one;2,4,6-trinitrophenol
- IUPAC
- 2-methylidene-1-azabicyclo[2.2.2]octan-3-one;2,4,6-trinitrophenol
Names & synonyms
NSC28167365541-32-4DTXSID40314239NSC-281673DS-0134592-Methylidene-1-azabicyclo[2.2.2]octan-3-one--2,4,6-trinitrophenol (1/1)
Database identifiers
- CAS
65541-32-4- PubChem CID
- 322972
- DTXSID
DTXSID40314239
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
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Related reactions
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Compound notes
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