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ChEBI
> Main
CHEBI:28993 -
cis
-acetylacrylic acid
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ChEBI Name
cis
-acetylacrylic acid
ChEBI ID
CHEBI:28993
ChEBI ASCII Name
cis-acetylacrylic acid
Definition
A 4-oxo monocarboxylic acid that is (
Z
)-pent-2-enoic acid in which the 4-position has been oxidised to the corresponding ketone.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10481, CHEBI:23305
Supplier Information
ZINC000030726228
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Formula
C5H6O3
Net Charge
0
Average Mass
114.09930
Monoisotopic Mass
114.03169
InChI
InChI=1S/C5H6O3/c1-4(6)2-3-5(7)8/h2-3H,1H3,(H,7,8)/b3-2-
InChIKey
XGTKSWVCNVUVHG-IHWYPQMZSA-N
SMILES
CC(=O)\C=C/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
cis
-acetylacrylic acid (
CHEBI:28993
)
has functional parent
pent-2-enoic acid (
CHEBI:35939
)
cis
-acetylacrylic acid (
CHEBI:28993
)
is a
4-oxo monocarboxylic acid (
CHEBI:35950
)
IUPAC Name
(2
Z
)-4-oxopent-2-enoic acid
Synonyms
Sources
(
Z
)-acetylacrylic acid
ChEBI
cis
-4-oxopent-2-enoic acid
ChEBI
Manual Xrefs
Databases
c0386
UM-BBD
C07091
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1720880
Reaxys Registry Number
Reaxys
Last Modified
21 February 2011