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866039-52-3

866039-52-3 structural image
Product Name: 2-(3-OXO-3,4-DIHYDRO-2H-PYRIDO[3,2-B][1,4]OXAZIN-2-YL)ETHYL 4-NITROBENZENECARBOXYLATE
Formula: C16H13N3O6
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COMPUTED DESCRIPTORS

Molecular Weight 343.29 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 343.08043514 g/mol
Monoisotopic Mass 343.08043514 g/mol
Topological Polar Surface Area 123 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 515
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes