CHEBI:181128 - 4-Methylcinnamic acid

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ChEBI Name 4-Methylcinnamic acid
ChEBI ID CHEBI:181128
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/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
InChIKey RURHILYUWQEGOS-VOTSOKGWSA-N
SMILES OC(=O)\C=C\C1=CC=C(C=C1)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 4-Methylcinnamic acid (CHEBI:181128) is a cinnamic acids (CHEBI:23252)
IUPAC Name
(E)-3-(4-methylphenyl)prop-2-enoic acid
Manual Xrefs Databases
639286 ChemSpider
8MB PDBeChem
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Registry Number Type Source
1866-39-3 CAS Registry Number ChemIDplus