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103440-98-8

103440-98-8 structural image
Product Name: Benzoic acid, 4-ethoxy-2-nitro- (6CI)
Formula: C9H9NO5
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COMPUTED DESCRIPTORS

Molecular Weight 211.17 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 211.04807239 g/mol
Monoisotopic Mass 211.04807239 g/mol
Topological Polar Surface Area 92.4 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 249
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