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2196195-87-4

2196195-87-4 structural image
Product Name: Benzoic acid, 2,4-dimethoxy-, 4-[(4-nitrophenoxy)carbonyl]phenyl ester
Formula: C22H17NO8
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COMPUTED DESCRIPTORS

Molecular Weight 423.4 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 8
Exact Mass 423.09541650 g/mol
Monoisotopic Mass 423.09541650 g/mol
Topological Polar Surface Area 117 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 620
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