This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Soluble in DMSO (≥10 mg/mL), and water (<2 mg/mL).
Refractive Index
n20D1.73
Boil Point(°C)
~780.2° C at 760 mmHg (Predicted)
Melt Point(°C)
~301.99° C (Predicted)
Molecular Weight
478.500 g/mol
XLogP3
7.100
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
8
Exact Mass
478.189 Da
Monoisotopic Mass
478.189 Da
Topological Polar Surface Area
98.700 Ų
Heavy Atom Count
36
Formal Charge
0
Complexity
681.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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