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Homecas39066-07-4

39066-07-4

39066-07-4 structural image
Product Name: 1-(3,4-DIMETHOXYPHENYL)-VALERONITRILE
Formula: C13H17NO2
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COMPUTED DESCRIPTORS

Molecular Weight 218.29 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 218.130679813 g/mol
Monoisotopic Mass 218.130679813 g/mol
Topological Polar Surface Area 18.5 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 240
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