CHEBI:165187 - alpha-Cyclohexylmandelic acid

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ChEBI Name alpha-Cyclohexylmandelic acid
ChEBI ID CHEBI:165187
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C14H18O3
Net Charge 0
Average Mass 234.295
Monoisotopic Mass 234.12559
InChI InChI=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)
InChIKey YTRNSQPXEDGWMR-UHFFFAOYSA-N
SMILES OC(C1CCCCC1)(C2=CC=CC=C2)C(O)=O
ChEBI Ontology
Outgoing alpha-Cyclohexylmandelic acid (CHEBI:165187) is a benzenes (CHEBI:22712)
IUPAC Name
2-cyclohexyl-2-hydroxy-2-phenylacetic acid
Manual Xref Database
88179 ChemSpider
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Registry Number Type Source
4335-77-7 CAS Registry Number ChemIDplus