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2172-33-0

2172-33-0 structural image
Product Name: Vat Orange 11
Formula: C42H18N2O6
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COMPUTED DESCRIPTORS

Molecular Weight 646.6 g/mol
XLogP3 7.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 0
Exact Mass 646.11648630 g/mol
Monoisotopic Mass 646.11648630 g/mol
Topological Polar Surface Area 134 Ų
Heavy Atom Count 50
Formal Charge 0
Complexity 1460
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 1
Compound Is Canonicalized Yes

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