Basic information
- Standard SMILES
O=[N+]([O-])C12CC3CC(C1)CC([N+](=O)[O-])(C3)C2- InChIKey
USKZHFZEQOROEM-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- 1,3-Dinitroadamantane
- IUPAC
- 1,3-dinitroadamantane
Names & synonyms
1,3-Dinitroadamantane55100-59-9SCHEMBL5608457FD66761AG-690/09409024
Database identifiers
- PubChem CID
- 583950
- Nikkaji
- J511.429B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Related reactions
2 records
Compound notes
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