Methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate (CHEBI:181127)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate

ChEBI ID	CHEBI:181127

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16O5

Net Charge

Average Mass

252.266

Monoisotopic Mass

252.09977

InChI

InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3

InChIKey

KLXHCGFNNUQTEY-UHFFFAOYSA-N

SMILES

O(C1=C(OC)C=C(C=C1OC)C=CC(OC)=O)C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate (CHEBI:181127) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name

methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate