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120512-38-1

120512-38-1 structural image
Product Name: α,α,α'',5-Tetramethyl-1,3-benzenediacetonitrile
Formula: C14H16N2
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COMPUTED DESCRIPTORS

Molecular Weight 212.29 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 212.131348519 g/mol
Monoisotopic Mass 212.131348519 g/mol
Topological Polar Surface Area 47.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 338
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