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630-72-8

630-72-8 structural image
Product Name: trinitroacetonitrile
Formula: C2N4O6
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COMPUTED DESCRIPTORS

Molecular Weight 176.05 g/mol
XLogP3 0
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 0
Exact Mass 175.98178373 g/mol
Monoisotopic Mass 175.98178373 g/mol
Topological Polar Surface Area 161 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 245
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