EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:173581 - Phenylmethylglycidic ester

ChEBI IDCHEBI:173581
ChEBI NamePhenylmethylglycidic ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O3
Net Charge0
Average Mass206.241
Monoisotopic Mass206.09429
SMILESCCOC(=O)C1OC1(C)c1ccccc1
InChIInChI=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
InChIKeyLQKRYVGRPXFFAV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
6255ChemSpider
HMDB0031729HMDB
Registry NumbersSources
CAS:77-83-8ChemIDplus