2,3,7,8-Tetrazaspiro[4.4]nonane;2,4,6-trinitrophenol
Basic information
- CAS
58979-82-1- Standard SMILES
C1NNCC12CNNC2.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
ORKGRSUOEYIJOV-UHFFFAOYSA-N- Molecular formula
- C11H15N7O7
- Average molar mass
- 357.28 g/mol
- Monoisotopic mass
- 357.10329584
Names & identifiers
- Preferred name
- 2,3,7,8-Tetrazaspiro[4.4]nonane;2,4,6-trinitrophenol
- IUPAC
- 2,3,7,8-tetrazaspiro[4.4]nonane;2,4,6-trinitrophenol
Names & synonyms
NSC28168658979-82-1DTXSID50330586NSC-2816862,4,6-Trinitrophenol--2,3,7,8-tetraazaspiro[4.4]nonane (1/1)
Database identifiers
- CAS
58979-82-1- PubChem CID
- 430736
- DTXSID
DTXSID50330586
Properties
Computed structural properties
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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