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CHEBI:18115 - 4-hydroxymandelonitrile

ChEBI IDCHEBI:18115
ChEBI Name4-hydroxymandelonitrile
Stars
DefinitionA cyanohydrin that is obtained by the formal addition of hydrogen cyanide to the aldehyde group of 4-hydroxybenzaldehyde.
Secondary ChEBI IDsCHEBI:1870, CHEBI:12009, CHEBI:20411
Last Modified13 November 2017
DownloadsMolfile
FormulaC8H7NO2
Net Charge0
Average Mass149.149
Monoisotopic Mass149.04768
SMILESN#CC(O)c1ccc(O)cc1
InChIInChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H
InChIKeyHOOOPXDSCKBLFG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxymandelonitrile (CHEBI:18115) has functional parent mandelonitrile (CHEBI:16910)
4-hydroxymandelonitrile (CHEBI:18115) is a phenols (CHEBI:33853)
Incoming Relation(s)
(S)-4-hydroxymandelonitrile (CHEBI:16660) is a 4-hydroxymandelonitrile (CHEBI:18115)
IUPAC Name 
hydroxy(4-hydroxyphenyl)acetonitrile
Synonyms  Source
2-hydroxy-2-(4-hydroxyphenyl)acetonitrileChEBI
4-hydroxybenzaldehyde cyanonhydrinChEBI
4-HydroxymandelonitrileKEGG COMPOUND
p-hydroxymandelonitrileChEBI
para-hydroxymandelonitrileChemIDplus
α,4-dihydroxybenzeneacetonitrileChemIDplus
UniProt Name  Source
4-hydroxymandelonitrileUniProt
Manual XrefsDatabases
C00650KEGG COMPOUND
Registry NumbersSources
Reaxys:1367224Reaxys
CAS:13093-65-7ChemIDplus