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CHEBI:61118 - 3-methylcinnamic acid

ChEBI IDCHEBI:61118
ChEBI Name3-methylcinnamic acid
Stars
DefinitionA cinnamic acid having a methyl substituent at the 3-position on the phenyl ring.
Last Modified25 January 2011
SubmitterSteve
DownloadsMolfile
FormulaC10H10O2
Net Charge0
Average Mass162.188
Monoisotopic Mass162.06808
SMILESCc1cccc(/C=C/C(=O)O)c1
InChIInChI=1S/C10H10O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+
InChIKeyJZINNAKNHHQBOS-AATRIKPKSA-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)
3-methylcinnamic acid (CHEBI:61118) is a cinnamic acids (CHEBI:23252)
Incoming Relation(s)
3-methylcinnamoyl group (CHEBI:60676) is substituent group from 3-methylcinnamic acid (CHEBI:61118)
IUPAC Name 
(2E)-3-(3-methylphenyl)prop-2-enoic acid
Synonyms  Source
m-Methylcinnamic acidChemIDplus
(2E)-3-(3-Methylphenyl)-2-propenoic acidNIST Chemistry WebBook
(2E)-3-(3-methylphenyl)acrylic acidIUPAC
Registry NumbersSources
Reaxys:2042552Reaxys
CAS:3029-79-6ChemIDplus
CAS:3029-79-6NIST Chemistry WebBook