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CHEBI:61116 - 4-chlorocinnamic acid
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ChEBI Name
4-chlorocinnamic acid
ChEBI ID
CHEBI:61116
Definition
An organochlorine compound comprising
trans
-cinnamic acid having a chloro substituent at the 4-position on the phenyl ring.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C9H7ClO2
Net Charge
0
Average Mass
182.60400
Monoisotopic Mass
182.01346
InChI
InChI=1S/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
InChIKey
GXLIFJYFGMHYDY-ZZXKWVIFSA-N
SMILES
OC(=O)\C=C\c1ccc(Cl)cc1
ChEBI Ontology
Outgoing
4-chlorocinnamic acid (
CHEBI:61116
)
has functional parent
trans
-cinnamic acid (
CHEBI:35697
)
4-chlorocinnamic acid (
CHEBI:61116
)
is a
monochlorobenzenes (
CHEBI:83403
)
Incoming
4-chlorocinnamoyl group (
CHEBI:60675
)
is substituent group from
4-chlorocinnamic acid (
CHEBI:61116
)
IUPAC Name
(2
E
)-3-(4-chlorophenyl)prop-2-enoic acid
Synonyms
Sources
(2
E
)-3-(4-chlorophenyl)acrylic acid
IUPAC
(E)-p-Chlorocinnamic acid
ChemIDplus
trans-p-Chlorocinnamic acid
ChemIDplus
Registry Numbers
Types
Sources
2044025
Reaxys Registry Number
Reaxys
940-62-5
CAS Registry Number
ChemIDplus
Last Modified
23 October 2014