CHEBI:181310 - Ethyl vanillate

ChEBI IDCHEBI:181310
ChEBI NameEthyl vanillate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O4
Net Charge0
Average Mass196.202
Monoisotopic Mass196.07356
SMILESCCOC(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3
InChIKeyMWAYRGBWOVHDDZ-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)
Ethyl vanillate (CHEBI:181310) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
ethyl 4-hydroxy-3-methoxybenzoate
Manual XrefsDatabases
11541ChemSpider
Registry NumbersSources
CAS:617-05-0ChemIDplus