Chem Pivaloyl Acetonitrile AlkaliMetal | Cheminformatics
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2D Structure

Pivaloyl Acetonitrile


  • SKU Code: CH140595
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Chemical Name - Pivaloyl Acetonitrile
Mol Weight - 125.17
Smiles - CC(C)(C)C(CC#N)=O
Property Name Property Value
Mol NamePivaloyl Acetonitrile
Molweight125.17
Monoisotopic Mass125.084064
Clogp1.3171
Clogs-1.931
H Acceptors2
Total Surface Area113.91
Relative Psa0.23352
Polar Surface Area40.86
Druglikeness-14.292
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.69069
Molecular Complexity0.48648
Fragments1
Non H Atoms9
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds2
Sp3 Atoms5
Symmetric Atoms2
SmilesCC(C)(C)C(CC#N)=O
InChIKeyInChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
InChIMXZMACXOMZKYHJ-UHFFFAOYSA-N

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