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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:30395 - acetylacetonate
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ChEBI Ontology
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ChEBI Name
acetylacetonate
ChEBI ID
CHEBI:30395
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C5H7O2
Net Charge
-1
Average Mass
99.10788
Monoisotopic Mass
99.04515
InChI
InChI=1S/C5H7O2/c1-4(6)3-5(2)7/h3H,1-2H3/q-1
InChIKey
CUJRVFIICFDLGR-UHFFFAOYSA-N
SMILES
[H][C-](C(C)=O)C(C)=O
ChEBI Ontology
Outgoing
acetylacetonate (
CHEBI:30395
)
is a
diketone (
CHEBI:46640
)
acetylacetonate (
CHEBI:30395
)
is conjugate base of
acetylacetone (
CHEBI:14750
)
Incoming
acetylacetone (
CHEBI:14750
)
is conjugate acid of
acetylacetonate (
CHEBI:30395
)
IUPAC Names
2,4-dioxopentan-3-ide
acetylacetonate
Synonyms
Sources
2,4-pentanedione, ion(1−)
ChemIDplus
acac
IUPAC
acetyl acetonate
ChemIDplus
Registry Numbers
Types
Sources
17272-66-1
CAS Registry Number
ChemIDplus
2539
Gmelin Registry Number
Gmelin
3536881
Beilstein Registry Number
Beilstein
Last Modified
17 September 2007