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CHEBI:59069 - 2-cyanocinnamic acid
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ChEBI Name
2-cyanocinnamic acid
ChEBI ID
CHEBI:59069
Definition
A cinnamic acid derivative having a cyano substituent at the 2-position of the phenyl ring.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C10H7NO2
Net Charge
0
Average Mass
173.16810
Monoisotopic Mass
173.04768
InChI
InChI=1S/C10H7NO2/c11-7-9-4-2-1-3-8(9)5-6-10(12)13/h1-6H,(H,12,13)
InChIKey
HQVOPXGNHGTKOD-UHFFFAOYSA-N
SMILES
[H]C(=Cc1ccccc1C#N)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-cyanocinnamic acid (
CHEBI:59069
)
is a
cinnamic acids (
CHEBI:23252
)
2-cyanocinnamic acid (
CHEBI:59069
)
is conjugate acid of
2-cyanocinnamate (
CHEBI:59070
)
Incoming
2-cyanocinnamate (
CHEBI:59070
)
is conjugate base of
2-cyanocinnamic acid (
CHEBI:59069
)
IUPAC Name
3-(2-cyanophenyl)prop-2-enoic acid
Synonyms
Sources
2-cyano-cinnamic acid
ChEBI
3-(2-cyanophenyl)acrylic acid
IUPAC
Manual Xref
Database
DE116123
Patent
View more database links
Registry Number
Type
Source
2614689
Beilstein Registry Number
Beilstein
Citations
Types
Sources
1650428
PubMed citation
Europe PMC
3581072
PubMed citation
Europe PMC
3756884
PubMed citation
Europe PMC
Last Modified
18 March 2016