Basic information
- CAS
89211-48-3- Standard SMILES
O=[N+]([O-])CCC(CC[N+](=O)[O-])[N+](=O)[O-]- InChIKey
IMDNOPLHGWHJMB-UHFFFAOYSA-N- Molecular formula
- C5H9N3O6
- Average molar mass
- 207.14 g/mol
- Monoisotopic mass
- 207.04913502
Names & identifiers
- Preferred name
- 1,3,5-Trinitropentane
- IUPAC
- 1,3,5-trinitropentane
Names & synonyms
1,3,5-TRINITROPENTANE89211-48-3DTXSID80752398RefChem:217491DTXCID20703142
Database identifiers
- CAS
89211-48-3- PubChem CID
- 71322747
- DTXSID
DTXSID80752398
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…