Basic information
- CAS
6284-03-3- Standard SMILES
CCCCCCCCCC1OCC(C)([N+](=O)[O-])CO1- InChIKey
CJWLFEFZUASAAL-UHFFFAOYSA-N- Molecular formula
- C14H27NO4
- Average molar mass
- 273.37 g/mol
- Monoisotopic mass
- 273.19400834
Names & identifiers
- Preferred name
- 5-Methyl-5-nitro-2-nonyl-1,3-dioxane
- IUPAC
- 5-methyl-5-nitro-2-nonyl-1,3-dioxane
Names & synonyms
6284-03-35-methyl-5-nitro-2-nonyl-1,3-dioxaneNSC7156DTXSID10278410NSC-7156
Database identifiers
- CAS
6284-03-3- PubChem CID
- 222010
- DTXSID
DTXSID10278410
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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