Basic information
- CAS
28446-70-0- Standard SMILES
Cc1ccc(C=CC#N)cc1- InChIKey
WHECQDVQLPVCRX-UHFFFAOYSA-N- Molecular formula
- C10H9N
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.07349929
Names & identifiers
- Preferred name
- 3-(4-Methylphenyl)prop-2-enenitrile
- IUPAC
- 3-(4-methylphenyl)prop-2-enenitrile
Names & synonyms
3-(4-methylphenyl)prop-2-enenitrile35121-93-83-(p-tolyl)acrylonitrile4-methylcinnamonitrile3-(4-Methylphenyl)acrylonitrile3-(4-Methylphenyl)-2-propenenitrile4-methyl cinnamonitrileSCHEMBL9709253-(p-tolyl)prop-2-enenitrileSCHEMBL3450557WHECQDVQLPVCRX-UHFFFAOYSA-NDTXSID101292615
Show more names
KBA12193AKOS017436884SY162485
Database identifiers
- CAS
28446-70-0- PubChem CID
- 34242
- DTXSID
DTXSID101292615
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Related reactions
5 records
Compound notes
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