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CHEBI:61116 - 4-chlorocinnamic acid

ChEBI IDCHEBI:61116
ChEBI Name4-chlorocinnamic acid
Stars
DefinitionAn organochlorine compound comprising trans-cinnamic acid having a chloro substituent at the 4-position on the phenyl ring.
Last Modified23 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC9H7ClO2
Net Charge0
Average Mass182.606
Monoisotopic Mass182.01346
SMILESO=C(O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
InChIKeyGXLIFJYFGMHYDY-ZZXKWVIFSA-N
ChEBI Ontology
Outgoing Relation(s)
4-chlorocinnamic acid (CHEBI:61116) has functional parent trans-cinnamic acid (CHEBI:35697)
4-chlorocinnamic acid (CHEBI:61116) is a monochlorobenzenes (CHEBI:83403)
Incoming Relation(s)
4-chlorocinnamoyl group (CHEBI:60675) is substituent group from 4-chlorocinnamic acid (CHEBI:61116)
IUPAC Name 
(2E)-3-(4-chlorophenyl)prop-2-enoic acid
Synonyms  Source
(E)-p-Chlorocinnamic acidChemIDplus
trans-p-Chlorocinnamic acidChemIDplus
(2E)-3-(4-chlorophenyl)acrylic acidIUPAC
Registry NumbersSources
Reaxys:2044025Reaxys
CAS:940-62-5ChemIDplus