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CHEBI:189864 - 3-hydroxy-3-phenylpropionitrile

ChEBI IDCHEBI:189864
ChEBI Name3-hydroxy-3-phenylpropionitrile
Stars
DefinitionA nitrile that is 3-phenylpropionitrile in which one of the methylene hydrogens at position 3 is replaced by a hydroxy group.
Last Modified28 March 2022
SubmitterJohannes Hunold (ORCID: 0000-0002-4378-6061)
DownloadsMolfile
FormulaC9H9NO
Net Charge0
Average Mass147.177
Monoisotopic Mass147.06841
SMILESN#CCC(O)c1ccccc1
InChIInChI=1S/C9H9NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6H2
InChIKeyHILDHWAXSORHRZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-3-phenylpropionitrile (CHEBI:189864) has functional parent 3-phenylpropionitrile (CHEBI:85426)
3-hydroxy-3-phenylpropionitrile (CHEBI:189864) is a benzyl alcohols (CHEBI:22743)
3-hydroxy-3-phenylpropionitrile (CHEBI:189864) is a nitrile (CHEBI:18379)
3-hydroxy-3-phenylpropionitrile (CHEBI:189864) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
3-hydroxy-3-phenylpropanenitrile
Synonyms  Source
β-hydroxy-benzenepropanenitrileSUBMITTER
β-hydroxybenzenepropanenitrileChemIDplus
3-phenyl-3-hydroxypropionitrileChEBI
3-phenyl-3-hydroxypropanenitrileChEBI
3-phenyl-hydracrylonitrileNIST Chemistry WebBook
Manual XrefsDatabases
WO02057475Patent
78037ChemSpider
Registry NumbersSources
CAS:17190-29-3ChemIDplus
CAS:17190-29-3NIST Chemistry WebBook
Citations