Structure Info
- Chemspace ID
- CSCS00015772301 (Synthesis)
- IUPAC Name
- (1R,2R)-2-tert-butyl-4-oxocyclohexane-1-carbonitrile
- Mol formula
- C11H17NO
- Mol weight
- 179 Da
- Catalog Number(s)
- BBV-77632218, CSC015772301, FCH3913877, JH365748
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.09
- Heavy atoms count
- 13
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.818
- Polar surface area (Å)
- 41
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00015772301
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