Basic information
- CAS
3531-23-5- Standard SMILES
N#CCC(O)(c1ccccc1)c1ccccc1- InChIKey
OSGUMQGPGBZSGN-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- 3-Hydroxy-3,3-diphenylpropanenitrile
- IUPAC
- 3-hydroxy-3,3-diphenylpropanenitrile
Names & synonyms
3-hydroxy-3,3-diphenylpropanenitrile3531-23-53-hydroxy-3,3-diphenyl-propanenitrile3-Hydroxy-3,3-diphenylpropionitrileNSC-103105J959.427BBenzenepropanenitrile, beta-hydroxy-beta-phenyl-Hydracrylonitrile, 3,3-diphenyl-2409Y4M2PUBenzenepropanenitrile, .beta.-hydroxy-.beta.-phenyl-BenzilonitrileNSC103105
Show more names
UNII-2409Y4M2PUDTXSID1041637SCHEMBL11622082OSGUMQGPGBZSGN-UHFFFAOYSA-OSGUMQGPGBZSGN-UHFFFAOYSA-NMFCD004362013-hydroxy-3,3-diphenyl-propionitrileAKOS003597208
Database identifiers
- CAS
3531-23-5- PubChem CID
- 266076
- DTXSID
DTXSID1041637- UNII
- 2409Y4M2PU
- Nikkaji
- J959.427B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Related reactions
13 records
Compound notes
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