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29315-53-5

29315-53-5 structural image
Product Name: salicylacyl glucuronide
Formula: C13H14O9
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

COMPUTED DESCRIPTORS

Molecular Weight 314.24 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 314.06378202 g/mol
Monoisotopic Mass 314.06378202 g/mol
Topological Polar Surface Area 154 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 426
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes