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acetylacetone

PropertiesImage
MNX_IDMNXM1364484 Image of MNXM1364484
referencechebi:14750
formulaC5H8O2
global charge0
mol weight100.117
InChIKeyYRKCREAYFQTBPV-UHFFFAOYSA-N
InChIInChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
SMILESCC(=O)CC(C)=O
MNX internals
InChI (mnx)InChI=1/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 Image of MNXM1364484
SMILES (mnx)[CH3:1][C:4]([CH2:3][C:5]([CH3:2])=[O:7])=[O:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:14750
chebi:14750
YRKCREAYFQTBPV-UHFFFAOYSA-N 		acetylacetone
2,4-Dioxopentane
2,4-dioxopentane
2,4-pentadione
2,4-pentanedione
ACAC
Acetylacetone
CH3-CO-CH2-CO-CH3
Hacac
acetoacetone
acetyl 2-propanone
pentan-2,4-dione
pentane-2,4-dione

sabiork.compound:23415
sabiorkM:23415
YRKCREAYFQTBPV-UHFFFAOYSA-N 		2,4-Pentanedione
hmdb:HMDB0031648
YRKCREAYFQTBPV-UHFFFAOYSA-N 		2,4-Pentanedione
2,4-Dioxopentane
2,4-Pentadione
2,4-Pentandione
4-Hydroxy-3-penten-2-one
ACAC
Acetoacetone
Acetyl 2-propanone
Acetyl acetone
Acetyl-2-propanone
Acetyl-acetone
Acetylacetone
Benzil-related compound, 44
CH3-CO-CH2-CO-CH3
CH3COCH2COCH3
Diacetylmethane
Hacac
Indium-111-acetylacetone
Pentan-2,4-dione
Pentane-2,4-dione
Pentanedione
Pentanedione-2,4
acetylacetone
pentane-2,4-dione

vmhM:acact
vmhmetabolite:acact
YRKCREAYFQTBPV-UHFFFAOYSA-N 		Acetylacetone
pentane-2,4-dione

kegg.compound:C15499
keggC:C15499
YRKCREAYFQTBPV-UHFFFAOYSA-N 		Pentane-2,4-dione
2,4-Dioxopentane
Acetylacetone

lipidmaps:LMFA12000075
lipidmapsM:LMFA12000075
YRKCREAYFQTBPV-UHFFFAOYSA-N 		Pentane-2,4-dione
Pentane-2,4-dione

metacyc.compound:CPD-8879
metacycM:CPD-8879
YRKCREAYFQTBPV-UHFFFAOYSA-N 		acetylacetone
2,4-dioxopentane
2,4-pentadione
2,4-pentanedione
ACAC
Hacac
pentane-2,4-dione

envipath:...d73e4ae7c4fe
envipathM:...d73e4ae7c4fe
YRKCREAYFQTBPV-UHFFFAOYSA-N 		compound 0000536

envipath:...a0e8119046c1
envipathM:...a0e8119046c1
YRKCREAYFQTBPV-UHFFFAOYSA-N 		compound 0076437

hmdb:HMDB31648
keggC:M_C15499
vmhM:M_acact 		secondary/obsolete/fantasy identifier