Basic information
- Standard SMILES
N#Cc1ccc(C=O)c(C#Cc2ccccc2)c1- InChIKey
UJQVYCANGKNNBE-UHFFFAOYSA-N- Molecular formula
- C16H9NO
- Average molar mass
- 231.25 g/mol
Names & identifiers
- Preferred name
- 4-Cyano-2-(2-phenylethynyl)benzaldehyde
- IUPAC
- 4-formyl-3-(2-phenylethynyl)benzonitrile
Names & synonyms
SCHEMBL7399140UJQVYCANGKNNBE-UHFFFAOYSA-N4-cyano-2-(2-phenylethynyl)benzaldehyde
Database identifiers
- PubChem CID
- 54356802
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 399
Related reactions
3 records
Compound notes
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