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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:87544 - 2-acetoxypropanal
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ChEBI Name
2-acetoxypropanal
ChEBI ID
CHEBI:87544
Definition
An aldehyde that is propanal substituted by an acetoxy group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C5H8O3
Net Charge
0
Average Mass
116.11520
Monoisotopic Mass
116.04734
InChI
InChI=1S/C5H8O3/c1-4(3-6)8-5(2)7/h3-4H,1-2H3
InChIKey
FXPPNKAYSGWCQG-UHFFFAOYSA-N
SMILES
CC(OC(C)=O)C=O
Roles Classification
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-acetoxypropanal (
CHEBI:87544
)
has role
metabolite (
CHEBI:25212
)
2-acetoxypropanal (
CHEBI:87544
)
is a
acetate ester (
CHEBI:47622
)
2-acetoxypropanal (
CHEBI:87544
)
is a
aldehyde (
CHEBI:17478
)
IUPAC Name
1-oxopropan-2-yl acetate
Synonyms
Sources
1-formylethyl acetate
ChemIDplus
α-acetoxypropionaldehyde
ChEBI
Manual Xref
Database
EP0103891
Patent
View more database links
Registry Numbers
Types
Sources
1701193
Reaxys Registry Number
Reaxys
22094-23-1
CAS Registry Number
NIST Chemistry WebBook
22094-23-1
CAS Registry Number
ChemIDplus
Last Modified
18 August 2015