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3-methyl-hexane-2,5-dione

PropertiesImage
MNX_IDMNXM150960 Image of MNXM150960
referencemetacycM:CPD-16991
formulaC7H12O2
global charge0
mol weight128.171
InChIKeyNLLILAUVOOREKR-YFKPBYRVSA-N
InChIInChI=1S/C7H12O2/c1-5(7(3)9)4-6(2)8/h5H,4H2,1-3H3/t5-/m0/s1
SMILESCC(=O)C[C@H](C)C(C)=O
MNX internals
InChI (mnx)InChI=1/C7H12O2/c1-5(7(3)9)4-6(2)8/h5H,4H2,1-3H3/t5-/m0/s1 Image of MNXM150960
SMILES (mnx)[CH3:1][C@@H:5]([CH2:4][C:6]([CH3:2])=[O:8])[C:7]([CH3:3])=[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

metacyc.compound:CPD-16991
metacycM:CPD-16991
seed.compound:cpd35972
seedM:cpd35972
NLLILAUVOOREKR-YFKPBYRVSA-N
3-methyl-hexane-2,5-dione

seedM:M_cpd35972
secondary/obsolete/fantasy identifier