Basic information
- CAS
893638-40-9- Standard SMILES
CC(=O)c1cc(-c2ccccc2C#N)ccc1O- InChIKey
WHNPHOQRYOBPSE-UHFFFAOYSA-N- Molecular formula
- C15H11NO2
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.07897859
Names & identifiers
- Preferred name
- 3'-Acetyl-4'-hydroxy[1,1'-biphenyl]-2-carbonitrile
- IUPAC
- 2-(3-acetyl-4-hydroxyphenyl)benzonitrile
Names & synonyms
3'-Acetyl-4'-hydroxy[1,1'-biphenyl]-2-carbonitrileDTXSID101229357AKOS004116711893638-40-93a(2)-Acetyl-4a(2)-hydroxy[1,1a(2)-biphenyl]-2-carbonitrile
Database identifiers
- CAS
893638-40-9- PubChem CID
- 23005124
- DTXSID
DTXSID101229357
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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