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34844-80-9

34844-80-9 structural image
Product Name: 4,5-DIHYDRO-1,4-BENZOXAZEPIN-3(2H)-ONE
Formula: C9H9NO2
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COMPUTED DESCRIPTORS

Molecular Weight 163.17 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 163.063328530 g/mol
Monoisotopic Mass 163.063328530 g/mol
Topological Polar Surface Area 38.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 181
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