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5-Methyl-5-hexen-2-one

PropertiesImage
MNX_IDMNXM118275 Image of MNXM118275
referencechebi:195656
formulaC7H12O
global charge0
mol weight112.172
InChIKeyVBCIOOKAKHGVMI-UHFFFAOYSA-N
InChIInChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h1,4-5H2,2-3H3
SMILESC=C(C)CCC(C)=O
MNX internals
InChI (mnx)InChI=1/C7H12O/c1-6(2)4-5-7(3)8/h1,4-5H2,2-3H3 Image of MNXM118275
SMILES (mnx)[CH2:1]=[C:6]([CH3:2])[CH2:4][CH2:5][C:7]([CH3:3])=[O:8]
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:195656
chebi:195656
VBCIOOKAKHGVMI-UHFFFAOYSA-N
5-Methyl-5-hexen-2-one
5-methylhex-5-en-2-one
hmdb:HMDB0031551
VBCIOOKAKHGVMI-UHFFFAOYSA-N
5-Methyl-5-hexen-2-one
4-Acetyl-2-methyl-1-butene
5-hexen-2-one, 5-methyl-
5-methylhex-5-en-2-one
FEMA 3365
Methallylacetone

hmdb:HMDB31551
secondary/obsolete/fantasy identifier