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2D Structure

Pivaloyl Cyanide


  • SKU Code: CH140591
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Chemical Name - Pivaloyl Cyanide
Mol Weight - 111.143
Smiles - CC(C)(C)C(C#N)=O
Property Name Property Value
Mol NamePivaloyl Cyanide
Molweight111.143
Monoisotopic Mass111.068414
Clogp0.8627
Clogs-1.661
H Acceptors2
Total Surface Area100.15
Relative Psa0.2656
Polar Surface Area40.86
Druglikeness-12.815
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.625
Molecular Flexibility0.70755
Molecular Complexity0.64864
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Sp3 Atoms4
Symmetric Atoms2
SmilesCC(C)(C)C(C#N)=O
InChIKeyInChI=1S/C6H9NO/c1-6(2,3)5(8)4-7/h1-3H3
InChINPBLQPWAISGYEU-UHFFFAOYSA-N

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