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51811-48-4

51811-48-4 structural image
Product Name: trisodium (8E)-7-oxo-8-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1,3-disulfonate
Formula: C20H11N2Na3O10S3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description NKRA
Color/Form Maroon powder
Solubility 80 mg/ml in water, 80 mg/ml in methyl Cellosolve, and 0.9 mg/ml in ethanol.
Decomposition When heated to decomposition ... emits toxic fumes of /nitrogen oxides and sulfur oxides/.
Chemical Classes Dyes -> Azo Dyes

COMPUTED DESCRIPTORS

Molecular Weight 604.5 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 2
Exact Mass 603.92689092 g/mol
Monoisotopic Mass 603.92689092 g/mol
Topological Polar Surface Area 242 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 1080
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 4
Compound Is Canonicalized Yes