Basic information
- CAS
68555-29-3- Standard SMILES
CC(=CCC#N)CCc1ccccc1- InChIKey
XVXZMGMMEQKDRK-UHFFFAOYSA-N- Molecular formula
- C13H15N
- Average molar mass
- 185.26 g/mol
- Monoisotopic mass
- 185.12044948
Names & identifiers
- Preferred name
- CID 110533
- IUPAC
- 4-methyl-6-phenylhex-3-enenitrile
Names & synonyms
SCHEMBL4870956NS00036650
Database identifiers
- CAS
68555-29-3- PubChem CID
- 110533
- DTXSID
DTXSID3071648
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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