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3598-68-3

3598-68-3 structural image
Product Name: 3-(NITROMETHYL)-2-BENZOFURAN-1(3H)-ONE
Formula: C9H7NO4
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COMPUTED DESCRIPTORS

Molecular Weight 193.16 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 193.03750770 g/mol
Monoisotopic Mass 193.03750770 g/mol
Topological Polar Surface Area 72.1 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 260
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