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71872-47-4

Product Name: C.I. Disperse Blue 295 press cake
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COMPUTED DESCRIPTORS

Molecular Weight 679.9 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 29
Exact Mass 679.35025145 g/mol
Monoisotopic Mass 679.35025145 g/mol
Topological Polar Surface Area 209 Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1080
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 4
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 4
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes