Basic information
- Standard SMILES
CC(C#N)C(=O)c1ccc(C#N)cc1- InChIKey
LHYWTMKETGOWNE-UHFFFAOYSA-N- Molecular formula
- C11H8N2O
- Average molar mass
- 184.19 g/mol
Names & identifiers
- Preferred name
- 4-(2-Cyanopropanoyl)benzonitrile
- IUPAC
- 4-(2-cyanopropanoyl)benzonitrile
Names & synonyms
4-(2-cyanopropanoyl)benzonitrileSCHEMBL2304365LHYWTMKETGOWNE-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59504791
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 309
Related reactions
2 records
Compound notes
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