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10413-01-1

10413-01-1 structural image
Product Name: 4-METHYL-5-OXO-HEXANENITRILE
Formula: C7H11NO
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COMPUTED DESCRIPTORS

Molecular Weight 125.17 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 125.084063974 g/mol
Monoisotopic Mass 125.084063974 g/mol
Topological Polar Surface Area 40.9 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 142
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes