Basic information
- Standard SMILES
COC(=O)CCC(=O)c1ccc(-c2ccc(C#N)cc2)cc1- InChIKey
WOHWGBFNVRSHDB-UHFFFAOYSA-N- Molecular formula
- C18H15NO3
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.10519334
Names & identifiers
- Preferred name
- 4-(4'-Cyano-biphenyl-4-yl)4-oxo-butyric acid, methyl ester
- IUPAC
- methyl 4-[4-(4-cyanophenyl)phenyl]-4-oxobutanoate
Names & synonyms
WOHWGBFNVRSHDB-UHFFFAOYSA-N4-(4'-cyano-biphenyl-4-yl)-4-oxo-butyric acid, methyl ester4-(4'-cyano-biphenyl-4-yl)4-oxo-butyric acid, methyl ester
Database identifiers
- PubChem CID
- 21751709
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
Related reactions
4 records
Compound notes
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