Basic information
- CAS
59969-93-6- Standard SMILES
CC(C1CCCC(=O)C1)[N+](=O)[O-]- InChIKey
UNJFNXOQUDPIMG-UHFFFAOYSA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08954328
Names & identifiers
- Preferred name
- Cyclohexanone, 3-(1-nitroethyl)-
- IUPAC
- 3-(1-nitroethyl)cyclohexan-1-one
Names & synonyms
Cyclohexanone, 3-(1-nitroethyl)-59969-93-6DTXSID50442673RefChem:335609DTXCID503934943-(1-nitroethyl)cyclohexan-1-oneSCHEMBL24529276NCGC00161043-01
Database identifiers
- CAS
59969-93-6- PubChem CID
- 10631007
- DTXSID
DTXSID50442673- Nikkaji
- J738.260J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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