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2-methylcyclohexanone

PropertiesImage
MNX_IDMNXM116900 Image of MNXM116900
referencechebi:195390
formulaC7H12O
global charge0
mol weight112.172
InChIKeyLFSAPCRASZRSKS-UHFFFAOYSA-N
InChIInChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
SMILESCC1CCCCC1=O
MNX internals
InChI (mnx)InChI=1/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3/t6? Image of MNXM116900
SMILES (mnx)[CH3:1][CH:6]1[CH2:4][CH2:2][CH2:3][CH2:5][C:7]1=[O:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:195390
chebi:195390
LFSAPCRASZRSKS-UHFFFAOYSA-N 		2-methylcyclohexanone
2-methyl-1-cyclohexanone
2-methylcyclohexan-1-one
2-methylcyclohexane-1-one
FEMA 3946
alpha-methylcyclohexanone
o-methylcyclohexanone
ortho-methylcyclohexanone
tetrahydro-o-cresol
hmdb:HMDB0031539
LFSAPCRASZRSKS-UHFFFAOYSA-N 		2-Methylcyclohexanone
2-Methyl-1-cyclohexanone
2-methylcyclohexan-1-one
2-methylcyclohexanone
FEMA 3946
O-Methylcyclohexanone
alpha-Methylcyclohexanone
tetrahydro-O-Cresol

metacyc.compound:CPD-25459
metacycM:CPD-25459
LFSAPCRASZRSKS-UHFFFAOYSA-N 		2-methylcyclohexanone

sabiork.compound:25800
sabiorkM:25800
LFSAPCRASZRSKS-UHFFFAOYSA-N 		3-Methyl-2-cyclohexanone

hmdb:HMDB31539 		secondary/obsolete/fantasy identifier