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CHEBI:168029 - Ethyl 4-methylphenoxyacetate

ChEBI IDCHEBI:168029
ChEBI NameEthyl 4-methylphenoxyacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O3
Net Charge0
Average Mass194.230
Monoisotopic Mass194.09429
SMILESCCOC(=O)COc1ccc(C)cc1
InChIInChI=1S/C11H14O3/c1-3-13-11(12)8-14-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyUMNOIMVMNARUSB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ethyl 4-methylphenoxyacetate (CHEBI:168029) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
ethyl 2-(4-methylphenoxy)acetate
Manual XrefsDatabases
3263307ChemSpider
HMDB0034206HMDB
Registry NumbersSources
CAS:67028-40-4ChemIDplus