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85018-82-2

85018-82-2 structural image
Product Name: Nicotinic acid, 2,11-dibutyl-2,11-dimethyldodecamethylene ester
Formula: C34H52N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 552.8 g/mol
XLogP3 10.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 23
Exact Mass 552.39270814 g/mol
Monoisotopic Mass 552.39270814 g/mol
Topological Polar Surface Area 78.4 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 643
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes