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939-56-0

939-56-0 structural image
Product Name: BENZOIC ACID CYANOMETHYL ESTER
Formula: C9H7NO2
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COMPUTED DESCRIPTORS

Molecular Weight 161.16 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 161.047678466 g/mol
Monoisotopic Mass 161.047678466 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 198
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