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CHEBI:44235 - 3-(3,4-dimethoxyphenyl)propanoic acid

ChEBI IDCHEBI:44235
ChEBI Name3-(3,4-dimethoxyphenyl)propanoic acid
Stars
DefinitionA monocarboxylic acid that is propanoic acid substituted by a 3,4-dimethoxyphenyl group at position 3.
Last Modified24 March 2014
DownloadsMolfile
FormulaC11H14O4
Net Charge0
Average Mass210.229
Monoisotopic Mass210.08921
SMILESCOc1ccc(CCC(=O)O)cc1OC
InChIInChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKeyLHHKQWQTBCTDQM-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)
3-(3,4-dimethoxyphenyl)propanoic acid (CHEBI:44235) has functional parent propionic acid (CHEBI:30768)
3-(3,4-dimethoxyphenyl)propanoic acid (CHEBI:44235) is a dimethoxybenzene (CHEBI:51681)
3-(3,4-dimethoxyphenyl)propanoic acid (CHEBI:44235) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
3-(3,4-dimethoxyphenyl)propanoic acid
Synonyms  Source
3-(3,4-dimethoxyphenyl)propionic acidChEBI
3,4-dimethoxy-α-β-dihydrocinnamic acidChEBI
Manual XrefsDatabases
MPPPDBeChem
Registry NumbersSources
Reaxys:2696272Reaxys
CAS:2107-70-2ChemIDplus
CAS:2107-70-2NIST Chemistry WebBook