CHEBI:173581 - Phenylmethylglycidic ester

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ChEBI Name Phenylmethylglycidic ester
ChEBI ID CHEBI:173581
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H14O3
Net Charge 0
Average Mass 206.241
Monoisotopic Mass 206.09429
InChI InChI=1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKey LQKRYVGRPXFFAV-UHFFFAOYSA-N
SMILES O1C(C1C(OCC)=O)(C2=CC=CC=C2)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Phenylmethylglycidic ester (CHEBI:173581) is a carboxylic acid (CHEBI:33575)
Phenylmethylglycidic ester (CHEBI:173581) is a epoxide (CHEBI:32955)
IUPAC Name
ethyl 3-methyl-3-phenyloxirane-2-carboxylate
Manual Xrefs Databases
6255 ChemSpider
HMDB0031729 HMDB
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Registry Number Type Source
77-83-8 CAS Registry Number ChemIDplus