1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile
Basic information
- CAS
7143-12-6- Standard SMILES
CC1CC(=O)CC(C)(C#N)C1- InChIKey
OQNCPTDMDHJIPH-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- 1,3-Dimethyl-5-oxocyclohexane-1-carbonitrile
- IUPAC
- 1,3-dimethyl-5-oxocyclohexane-1-carbonitrile
Names & synonyms
NSC425277143-12-61,3-dimethyl-5-oxocyclohexane-1-carbonitrileCyclohexanecarbonitrile, 1,3-dimethyl-5-oxo-DTXSID80285631NSC-42527DS-010664
Database identifiers
- CAS
7143-12-6- PubChem CID
- 238237
- DTXSID
DTXSID80285631
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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