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894-86-0

894-86-0 structural image
Product Name: Vat Blue 1, Reduced
Formula: C16H13N2NaO2
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COMPUTED DESCRIPTORS

Molecular Weight 308.24 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 308.05376613 g/mol
Monoisotopic Mass 308.05376613 g/mol
Topological Polar Surface Area 77.7 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 330
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 3
Compound Is Canonicalized Yes