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53669-63-9

53669-63-9 structural image
Product Name: 2H-Pyrrole-2-carbonitrile, 2-methyl-, 1-oxide
Formula: C6H6N2O
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COMPUTED DESCRIPTORS

Molecular Weight 122.12 g/mol
XLogP3 -0.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 122.048012819 g/mol
Monoisotopic Mass 122.048012819 g/mol
Topological Polar Surface Area 52.5 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 233
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