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40662-43-9

40662-43-9 structural image
Product Name: 2-CYANO-2-PROPANOL-1,1,1,3,3,3-D6
Formula: C4H7NO
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COMPUTED DESCRIPTORS

Molecular Weight 91.14 g/mol
XLogP3 -0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 91.090424322 g/mol
Monoisotopic Mass 91.090424322 g/mol
Topological Polar Surface Area 44 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 87
Isotope Atom Count 6
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes