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787575-81-9

787575-81-9 structural image
Product Name: 4-(2,2-DIETHOXY-ETHOXY)-BENZONITRILE
Formula: C13H17NO3
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COMPUTED DESCRIPTORS

Molecular Weight 235.28 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 235.12084340 g/mol
Monoisotopic Mass 235.12084340 g/mol
Topological Polar Surface Area 51.5 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 234
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