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59443-94-6

59443-94-6 structural image
Product Name: 4-Amino-β-oxobenzenepropanenitrile
Formula: C9H8N2O
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COMPUTED DESCRIPTORS

Molecular Weight 160.17 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 160.063662883 g/mol
Monoisotopic Mass 160.063662883 g/mol
Topological Polar Surface Area 66.9 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 208
Isotope Atom Count 0
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