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108608-01-1

108608-01-1 structural image
Product Name: 2-STYRYL-4H-3,1-BENZOXAZIN-4-ONE
Formula: C16H11NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 0.7 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 249.26 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 249.078978594 g/mol
Monoisotopic Mass 249.078978594 g/mol
Topological Polar Surface Area 38.7 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 394
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes