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CHEBI:86549 - 3,4-dimethoxycinnamic acid

ChEBI IDCHEBI:86549
ChEBI Name3,4-dimethoxycinnamic acid
Stars
DefinitionA methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively.
Last Modified12 April 2024
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCOc1ccc(/C=C/C(=O)O)cc1OC
InChIInChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
InChIKeyHJBWJAPEBGSQPR-GQCTYLIASA-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)
3,4-dimethoxycinnamic acid (CHEBI:86549) has functional parent trans-cinnamic acid (CHEBI:35697)
3,4-dimethoxycinnamic acid (CHEBI:86549) is a methoxycinnamic acid (CHEBI:61407)
3,4-dimethoxycinnamic acid (CHEBI:86549) is conjugate acid of 3,4-dimethoxy-(E)-cinnamate (CHEBI:229728)
Incoming Relation(s)
methyl-3,4-dimethoxycinnamate (CHEBI:86899) has functional parent 3,4-dimethoxycinnamic acid (CHEBI:86549)
3,4-dimethoxy-(E)-cinnamate (CHEBI:229728) is conjugate base of 3,4-dimethoxycinnamic acid (CHEBI:86549)
IUPAC Name 
(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Registry NumbersSources
Reaxys:2215201Reaxys
CAS:14737-89-4ChemIDplus