CHEBI:86549 - 3,4-dimethoxycinnamic acid

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ChEBI Name 3,4-dimethoxycinnamic acid
ChEBI ID CHEBI:86549
Definition A methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H12O4
Net Charge 0
Average Mass 208.21060
Monoisotopic Mass 208.07356
InChI InChI=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+
InChIKey HJBWJAPEBGSQPR-GQCTYLIASA-N
SMILES COc1ccc(\C=C\C(O)=O)cc1OC
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 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 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 Numbers Types Sources
14737-89-4 CAS Registry Number ChemIDplus
2215201 Reaxys Registry Number Reaxys
Last Modified
12 April 2024