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CHEBI:165187 - alpha-Cyclohexylmandelic acid

ChEBI IDCHEBI:165187
ChEBI Namealpha-Cyclohexylmandelic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESO=C(O)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)
InChIKeyYTRNSQPXEDGWMR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
alpha-Cyclohexylmandelic acid (CHEBI:165187) is a benzenes (CHEBI:22712)
IUPAC Name 
2-cyclohexyl-2-hydroxy-2-phenylacetic acid
Manual XrefsDatabases
88179ChemSpider
Registry NumbersSources
CAS:4335-77-7ChemIDplus