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

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ChEBI Name 3-(3,4-dimethoxyphenyl)propanoic acid
ChEBI ID CHEBI:44235
Definition A monocarboxylic acid that is propanoic acid substituted by a 3,4-dimethoxyphenyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H14O4
Net Charge 0
Average Mass 210.22650
Monoisotopic Mass 210.08921
InChI InChI=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)
InChIKey LHHKQWQTBCTDQM-UHFFFAOYSA-N
SMILES COc1ccc(CCC(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-(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 Sources
3,4-dimethoxy-α-β-dihydrocinnamic acid ChEBI
3-(3,4-dimethoxyphenyl)propionic acid ChEBI
Manual Xref Database
MPP PDBeChem
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Registry Numbers Types Sources
2107-70-2 CAS Registry Number NIST Chemistry WebBook
2107-70-2 CAS Registry Number ChemIDplus
2696272 Reaxys Registry Number Reaxys
Last Modified
24 March 2014