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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:73963 - 2-chloroacrylic acid
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ChEBI Name
2-chloroacrylic acid
ChEBI ID
CHEBI:73963
Definition
A chlorocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by chlorine.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C3H3ClO2
Net Charge
0
Average Mass
106.50800
Monoisotopic Mass
105.98216
InChI
InChI=1S/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6)
InChIKey
SZTBMYHIYNGYIA-UHFFFAOYSA-N
SMILES
OC(=O)C(Cl)=C
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-chloroacrylic acid (
CHEBI:73963
)
has functional parent
acrylic acid (
CHEBI:18308
)
2-chloroacrylic acid (
CHEBI:73963
)
has role
metabolite (
CHEBI:25212
)
2-chloroacrylic acid (
CHEBI:73963
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
2-chloroacrylic acid (
CHEBI:73963
)
is a
chlorocarboxylic acid (
CHEBI:36685
)
2-chloroacrylic acid (
CHEBI:73963
)
is conjugate acid of
2-chloroacrylate (
CHEBI:73935
)
Incoming
2-chloroacrylate (
CHEBI:73935
)
is conjugate base of
2-chloroacrylic acid (
CHEBI:73963
)
IUPAC Name
2-chloroprop-2-enoic acid
Synonyms
Sources
2-chloro-2-propenoic acid
ChemIDplus
α-chloroacrylic acid
ChEBI
Manual Xref
Database
EP1767184
Patent
View more database links
Registry Numbers
Types
Sources
1098503
Reaxys Registry Number
Reaxys
598-79-8
CAS Registry Number
ChemIDplus
598-79-8
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
15781461
PubMed citation
Europe PMC
22752160
PubMed citation
Europe PMC
2894957
PubMed citation
Europe PMC
8434917
PubMed citation
Europe PMC
Last Modified
27 June 2014