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Homecas161718-81-6

161718-81-6

161718-81-6 structural image
Product Name: 4-(2-Methylpropoxy)-1,3-benzenedicarbonitrile
Formula: C12H12N2O
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COMPUTED DESCRIPTORS

Molecular Weight 200.24 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 200.094963011 g/mol
Monoisotopic Mass 200.094963011 g/mol
Topological Polar Surface Area 56.8 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 293
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