Basic information
- CAS
7404-81-1- Standard SMILES
CC(=O)CCC(CCCC(CCC(C)=O)[N+](=O)[O-])[N+](=O)[O-]- InChIKey
UFIRUAZYPUGOBZ-UHFFFAOYSA-N- Molecular formula
- C13H22N2O6
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.14778643
Names & identifiers
- Preferred name
- 5,9-Dinitrotridecane-2,12-dione
- IUPAC
- 5,9-dinitrotridecane-2,12-dione
Names & synonyms
7404-81-15,9-dinitrotridecane-2,12-dioneNSC403130DTXSID10323136NSC-403130
Database identifiers
- CAS
7404-81-1- PubChem CID
- 345489
- DTXSID
DTXSID10323136
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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