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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:51889 - cyanoacetic acid
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ChEBI Name
cyanoacetic acid
ChEBI ID
CHEBI:51889
Definition
A monocarboxylic acid that consists of acetic acid bearing a cyano substituent.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C3H3NO2
Net Charge
0
Average Mass
85.06146
Monoisotopic Mass
85.01638
InChI
InChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)
InChIKey
MLIREBYILWEBDM-UHFFFAOYSA-N
SMILES
OC(=O)CC#N
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
cyanoacetic acid (
CHEBI:51889
)
has functional parent
acetic acid (
CHEBI:15366
)
cyanoacetic acid (
CHEBI:51889
)
is a
monocarboxylic acid (
CHEBI:25384
)
Incoming
cyanoacetate ester (
CHEBI:51888
)
has functional parent
cyanoacetic acid (
CHEBI:51889
)
IUPAC Name
cyanoacetic acid
Synonyms
Sources
Acide cyanacetique
ChemIDplus
Cyanessigsäure
ChemIDplus
cyanoethanoic acid
ChEBI
Malonic acid mononitrile
ChemIDplus
Malonic mononitrile
ChemIDplus
Registry Numbers
Types
Sources
372-09-8
CAS Registry Number
NIST Chemistry WebBook
372-09-8
CAS Registry Number
ChemIDplus
506325
Reaxys Registry Number
Reaxys
Citation
Type
Source
21247203
PubMed citation
Europe PMC
Last Modified
10 January 2012