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CHEBI:166653 - 2-Isopropyl-3-methoxycinnamic acid

ChEBI IDCHEBI:166653
ChEBI Name2-Isopropyl-3-methoxycinnamic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O3
Net Charge0
Average Mass220.268
Monoisotopic Mass220.10994
SMILESCOc1cccc(/C=C/C(=O)O)c1C(C)C
InChIInChI=1S/C13H16O3/c1-9(2)13-10(7-8-12(14)15)5-4-6-11(13)16-3/h4-9H,1-3H3,(H,14,15)/b8-7+
InChIKeyQWXXXRFASGFHKU-BQYQJAHWSA-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)
2-Isopropyl-3-methoxycinnamic acid (CHEBI:166653) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-3-(3-methoxy-2-propan-2-ylphenyl)prop-2-enoic acid
Manual XrefsDatabases
4714470ChemSpider