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5-Methyl-2,3-hexanedione

PropertiesImage
MNX_IDMNXM118262 Image of MNXM118262
referencechebi:173493
formulaC7H12O2
global charge0
mol weight128.171
InChIKeyPQCLJXVUAWLNSV-UHFFFAOYSA-N
InChIInChI=1S/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3
SMILESCC(=O)C(=O)CC(C)C
MNX internals
InChI (mnx)InChI=1/C7H12O2/c1-5(2)4-7(9)6(3)8/h5H,4H2,1-3H3 Image of MNXM118262
SMILES (mnx)[CH3:1][CH:5]([CH3:2])[CH2:4][C:7]([C:6]([CH3:3])=[O:8])=[O:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:173493
chebi:173493
PQCLJXVUAWLNSV-UHFFFAOYSA-N 		5-Methyl-2,3-hexanedione
5-methylhexane-2,3-dione
hmdb:HMDB0031593
PQCLJXVUAWLNSV-UHFFFAOYSA-N 		5-Methyl-2,3-hexanedione
2,3-hexanedione, 5-methyl-
2-Methylhexa-4,5-dione
5-Methylhexane-2,3-dione
5-methylhexane-2,3-dione
Acetyl isopentanoyl
Acetyl isovaleryl
Acetylisopentanoyl
Acetylisovaleryl
FEMA 3190
Isobutyl methyl diketone
Isobutylmethylglyoxal

hmdb:HMDB31593 		secondary/obsolete/fantasy identifier