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53213-85-7

53213-85-7 structural image
Product Name: 3 3'-DIBUTYLTHIACARBOCYANINE IODIDE
Formula: C25H29IN2S2
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COMPUTED DESCRIPTORS

Molecular Weight 548.5 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 548.08169 g/mol
Monoisotopic Mass 548.08169 g/mol
Topological Polar Surface Area 60.7 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 527
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