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87412-96-2

87412-96-2 structural image
Product Name: 1H-Pyrazole-4-carbonitrile,1,3-dimethyl-(9CI)
Formula: C6H7N3
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COMPUTED DESCRIPTORS

Molecular Weight 121.14 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 121.063997236 g/mol
Monoisotopic Mass 121.063997236 g/mol
Topological Polar Surface Area 41.6 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 146
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