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123316-86-9

123316-86-9 structural image
Product Name: 1,1'-DIOCTYL-3,3,3',3'-TETRAMETHYLINDOCARBOCYANINE IODIDE
Formula: C39H57IN2
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COMPUTED DESCRIPTORS

Molecular Weight 680.8 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 16
Exact Mass 680.35665 g/mol
Monoisotopic Mass 680.35665 g/mol
Topological Polar Surface Area 6.2 Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 820
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes