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54849-69-3

54849-69-3 structural image
Product Name: IR-144
Formula: C56H73N5O8S2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dark purple solid; [Acros Organics MSDS]
Chemical Classes Dyes -> Other Dyes

COMPUTED DESCRIPTORS

Molecular Weight 1008.3 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 14
Exact Mass 1007.49005665 g/mol
Monoisotopic Mass 1007.49005665 g/mol
Topological Polar Surface Area 171 Ų
Heavy Atom Count 71
Formal Charge 0
Complexity 2130
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 4
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes