CHEBI:181310 - Ethyl vanillate

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ChEBI Name Ethyl vanillate
ChEBI ID CHEBI:181310
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H12O4
Net Charge 0
Average Mass 196.202
Monoisotopic Mass 196.07356
InChI InChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3
InChIKey MWAYRGBWOVHDDZ-UHFFFAOYSA-N
SMILES O(C(=O)C1=CC(OC)=C(O)C=C1)CC
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 Ethyl vanillate (CHEBI:181310) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name
ethyl 4-hydroxy-3-methoxybenzoate
Manual Xref Database
11541 ChemSpider
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Registry Number Type Source
617-05-0 CAS Registry Number ChemIDplus