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Chem Methyl Nonyl Ketone | Cheminformatics

Methyl Nonyl Ketone


  • SKU Code: CH137123
Chemical Name - Methyl Nonyl Ketone
Mol Weight - 170.295
Smiles - CCCCCCCCCC(C)=O
Property Name Property Value
Mol NameMethyl Nonyl Ketone
Molweight170.295
Monoisotopic Mass170.167065
Clogp4.0138
Clogs-3.066
H Acceptors1
Total Surface Area165.85
Relative Psa0.078625
Polar Surface Area17.07
Druglikeness-26.805
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index0.91667
Molecular Flexibility0.5286
Molecular Complexity0.41589
Fragments1
Non H Atoms12
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds8
Sp3 Atoms10
SmilesCCCCCCCCCC(C)=O
InChIKeyInChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
InChIKYWIYKKSMDLRDC-UHFFFAOYSA-N

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1 - Methyl Nonyl Ketone
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