Basic information
- Standard SMILES
Cc1cc(C#N)cc(CC#N)c1- InChIKey
WCCZNMGGKKDDQD-UHFFFAOYSA-N- Molecular formula
- C10H8N2
- Average molar mass
- 156.18 g/mol
Names & identifiers
- Preferred name
- 3-(Cyanomethyl)-5-methylbenzonitrile
- IUPAC
- 3-(cyanomethyl)-5-methylbenzonitrile
Names & synonyms
3-(cyanomethyl)-5-methylbenzonitrile1006300-15-7SCHEMBL5015163-cyano-5-methylbenzyl cyanideWCCZNMGGKKDDQD-UHFFFAOYSA-N3-cyano-5-methylphenyl acetonitrile3-Cyanomethyl-5-methyl-benzonitrileMFCD18394412SY374046DB-314668
Database identifiers
- PubChem CID
- 66705446
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 239
Related reactions
22 records
Compound notes
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