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117401-33-9

117401-33-9 structural image
Product Name: TIMTEC-BB SBB011590
Formula: C13H11NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 27.3 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 229.23 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 229.07389321 g/mol
Monoisotopic Mass 229.07389321 g/mol
Topological Polar Surface Area 53.7 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 253
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