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117-42-0

117-42-0 structural image
Product Name: Koch acid
Formula: C10H9NO9S3
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COMPUTED DESCRIPTORS

Molecular Weight 383.4 g/mol
XLogP3 -1.3
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 3
Exact Mass 382.94394439 g/mol
Monoisotopic Mass 382.94394439 g/mol
Topological Polar Surface Area 214 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 756
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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