3-Cyclohexene-1-carbonitrile, 6-(4-methylphenyl)-
Basic information
- CAS
185459-34-1- Standard SMILES
Cc1ccc(C2CC=CCC2C#N)cc1- InChIKey
DCXAMSGTAOWBRT-UHFFFAOYSA-N- Molecular formula
- C14H15N
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.12044948
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-carbonitrile, 6-(4-methylphenyl)-
- IUPAC
- 6-(4-methylphenyl)cyclohex-3-ene-1-carbonitrile
Names & synonyms
3-Cyclohexene-1-carbonitrile, 6-(4-methylphenyl)-185459-34-1SCHEMBL8830861DTXSID404321844'-Methyl-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carbonitrile
Database identifiers
- CAS
185459-34-1- PubChem CID
- 9877641
- DTXSID
DTXSID40432184
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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