CHEBI:181430 - 2-Methylcinnamic Acid

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ChEBI Name 2-Methylcinnamic Acid
ChEBI ID CHEBI:181430
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H10O2
Net Charge 0
Average Mass 162.188
Monoisotopic Mass 162.06808
InChI InChI=1S/C10H10O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
InChIKey RSWBWHPZXKLUEX-VOTSOKGWSA-N
SMILES OC(=O)\C=C\C=1C(=CC=CC1)C
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 2-Methylcinnamic Acid (CHEBI:181430) is a cinnamic acids (CHEBI:23252)
IUPAC Name
(E)-3-(2-methylphenyl)prop-2-enoic acid
Manual Xref Database
715567 ChemSpider
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Registry Number Type Source
939-57-1 CAS Registry Number ChemIDplus