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3-methylcyclohexanone

PropertiesImage
MNX_IDMNXM115351 Image of MNXM115351
referencechebi:195391
formulaC7H12O
global charge0
mol weight112.172
InChIKeyUJBOOUHRTQVGRU-UHFFFAOYSA-N
InChIInChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
SMILESCC1CCCC(=O)C1
MNX internals
InChI (mnx)InChI=1/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6? Image of MNXM115351
SMILES (mnx)[CH3:1][CH:6]1[CH2:3][CH2:2][CH2:4][C:7](=[O:8])[CH2:5]1
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:195391
chebi:195391
UJBOOUHRTQVGRU-UHFFFAOYSA-N 		3-methylcyclohexanone
hmdb:HMDB0033667
UJBOOUHRTQVGRU-UHFFFAOYSA-N 		(R)-3-Methylcyclohexanone
3-Methyl-(R)-cyclohexanone
3-Methyl-(S)-cyclohexanone
3-methylcyclohexan-1-one
3-methylcyclohexanone
Methyl-3 cyclohexanone-1
m-Methylcyclohexanone
tetrahydro-m-Cresol

sabiork.compound:23248
sabiorkM:23248
UJBOOUHRTQVGRU-UHFFFAOYSA-N 		3-Methylcyclohexanone

metacyc.compound:CPD-23641
metacycM:CPD-23641
UJBOOUHRTQVGRU-UHFFFAOYSA-N 		3-methylcyclohexanone
3-methylcyclohexan-1-one
methyl-3 cyclohexanone-1

hmdb:HMDB33667 		secondary/obsolete/fantasy identifier