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91165-68-3

91165-68-3 structural image
Product Name: [1,1'-(Naphthalene-1,8-diyl)bis(1H-1,2,3-triazole)]-4,5'-dicarboxylic acid diethyl ester
Formula: C20H18N6O4
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COMPUTED DESCRIPTORS

Molecular Weight 406.4 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 8
Exact Mass 406.13895308 g/mol
Monoisotopic Mass 406.13895308 g/mol
Topological Polar Surface Area 114 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 622
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