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5515-12-8

5515-12-8 structural image
Product Name: Propanedinitrile, 2-(hydroxymethylene)-
Formula: C4H2N2O
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COMPUTED DESCRIPTORS

Molecular Weight 94.07 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 94.016712692 g/mol
Monoisotopic Mass 94.016712692 g/mol
Topological Polar Surface Area 67.8 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 156
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