Chem Di Acetone Alcohol | Cheminformatics
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2D Structure

DI Acetone Alcohol


  • SKU Code: CH136765
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Chemical Name - DI Acetone Alcohol
Mol Weight - 116.159
Smiles - CC(C)(CC(C)=O)O
Property Name Property Value
Mol NameDI Acetone Alcohol
Molweight116.159
Monoisotopic Mass116.08373
Clogp0.6462
Clogs-1.156
H Acceptors2
H Donors1
Total Surface Area98.55
Relative Psa0.26525
Polar Surface Area37.3
Druglikeness-3.3975
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.625
Molecular Flexibility0.79064
Molecular Complexity0.69315
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds2
Sp3 Atoms6
Symmetric Atoms1
SmilesCC(C)(CC(C)=O)O
InChIKey
InChIC6H12O2

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