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2,5-hexanedione

PropertiesImage
MNX_IDMNXM99445 Image of MNXM99445
referencechebi:85014
formulaC6H10O2
global charge0
mol weight114.144
InChIKeyOJVAMHKKJGICOG-UHFFFAOYSA-N
InChIInChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
SMILESCC(=O)CCC(C)=O
MNX internals
InChI (mnx)InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3 Image of MNXM99445
SMILES (mnx)[CH3:1][C:5]([CH2:3][CH2:4][C:6]([CH3:2])=[O:8])=[O:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85014
chebi:85014
OJVAMHKKJGICOG-UHFFFAOYSA-N 		2,5-hexanedione
1,2-Diacetylethane
2,5-Diketohexane
2,5-Hexadione
Acetonyl acetone
CH3COCH2CH2COCH3
NSC 7621
acetonylacetone
alpha,beta-Diacetylethane
alpha,beta-diacetylethane
hexane-2,5-dione
hmdb:HMDB0245506
OJVAMHKKJGICOG-UHFFFAOYSA-N 		2,5-Hexanedione

lipidmaps:LMFA12000081
lipidmapsM:LMFA12000081
OJVAMHKKJGICOG-UHFFFAOYSA-N 		2,5-Hexanedione
2,5-Hexanedione

metacyc.compound:CPD-15521
metacycM:CPD-15521
seed.compound:cpd32099
seedM:cpd32099
OJVAMHKKJGICOG-UHFFFAOYSA-N 		2,5-hexanedione

envipath:...22815b56a164
envipathM:...22815b56a164
OJVAMHKKJGICOG-UHFFFAOYSA-N 		compound 0000945

seedM:M_cpd32099 		secondary/obsolete/fantasy identifier