3-(2,4,5-Trimethoxy-phenyl)-propionic acid (CHEBI:181618)

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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	3-(2,4,5-Trimethoxy-phenyl)-propionic acid

ChEBI ID	CHEBI:181618

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

Submitter	MetaboLights

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Download	Molfile XML SDF

Formula

C12H16O5

Net Charge

Average Mass

240.255

Monoisotopic Mass

240.09977

InChI

InChI=1S/C12H16O5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)

InChIKey

UGHPWKLKDZLPNM-UHFFFAOYSA-N

SMILES

O(C=1C(CCC(O)=O)=CC(OC)=C(OC)C1)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	3-(2,4,5-Trimethoxy-phenyl)-propionic acid (CHEBI:181618) is a benzenes (CHEBI:22712) 3-(2,4,5-Trimethoxy-phenyl)-propionic acid (CHEBI:181618) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name

3-(2,4,5-trimethoxyphenyl)propanoic acid