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Methyl Heptyl Ketone


  • SKU Code: CH137119
Chemical Name - Methyl Heptyl Ketone
Mol Weight - 142.241
Smiles - CCCCCCCC(C)=O
Property Name Property Value
Mol NameMethyl Heptyl Ketone
Molweight142.241
Monoisotopic Mass142.135765
Clogp3.105
Clogs-2.526
H Acceptors1
Total Surface Area138.33
Relative Psa0.094267
Polar Surface Area17.07
Druglikeness-26.929
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.9
Molecular Flexibility0.54147
Molecular Complexity0.48648
Fragments1
Non H Atoms10
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds6
Sp3 Atoms8
SmilesCCCCCCCC(C)=O
InChIKeyInChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
InChIVKCYHJWLYTUGCC-UHFFFAOYSA-N

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