1-Nitrohexadecan-2-one
Basic information
- CAS
13291-54-8- Standard SMILES
CCCCCCCCCCCCCCC(=O)C[N+](=O)[O-]- InChIKey
DGJBGXADLQALTN-UHFFFAOYSA-N- Molecular formula
- C16H31NO3
- Average molar mass
- 285.42 g/mol
- Monoisotopic mass
- 285.23039385
Names & identifiers
- Preferred name
- 1-Nitrohexadecan-2-one
- IUPAC
- 1-nitrohexadecan-2-one
Names & synonyms
13291-54-81-nitrohexadecan-2-one2-Hexadecanone,1-nitro-NSC138158SCHEMBL11507461DTXSID40300657NSC-138158DS-004126
Database identifiers
- CAS
13291-54-8- PubChem CID
- 283435
- DTXSID
DTXSID40300657
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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