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61227-20-1

61227-20-1 structural image
Product Name: 3,5-DIACETOXYBENZONITRILE
Formula: C11H9NO4
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COMPUTED DESCRIPTORS

Molecular Weight 219.19 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 219.05315777 g/mol
Monoisotopic Mass 219.05315777 g/mol
Topological Polar Surface Area 76.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 306
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