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2D Structure

4-Methyl cyclohexanone


  • SKU Code: CH137672
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Chemical Name - 4-Methyl cyclohexanone
Mol Weight - 112.171
Smiles - CC(CC1)CCC1=O
Property Name Property Value
Mol Name4-Methyl cyclohexanone
Molweight112.171
Monoisotopic Mass112.088815
Clogp1.6129
Clogs-1.962
H Acceptors1
Total Surface Area97.55
Relative Psa0.13368
Polar Surface Area17.07
Druglikeness-3.1881
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.75
Molecular Flexibility0.18169
Molecular Complexity0.54931
Fragments1
Non H Atoms8
Non Ch Atoms1
Electronegative Atoms1
Rings Closures1
Small Rings1
Sp3 Atoms6
Symmetric Atoms2
SmilesCC(CC1)CCC1=O
InChIKeyInChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChIVGVHNLRUAMRIEW-UHFFFAOYSA-N

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