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102579-56-6

102579-56-6 structural image
Product Name: gluconohydroximo-1,5-lactone-N-phenylurethane
Formula: C13H16N2O7
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COMPUTED DESCRIPTORS

Molecular Weight 312.27 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 312.09575085 g/mol
Monoisotopic Mass 312.09575085 g/mol
Topological Polar Surface Area 141 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 411
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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