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521313-27-9

521313-27-9 structural image
Product Name: 3-(3,4-DIMETHOXYPHENETHYL)-6-NITRO-2H-1,3-BENZOXAZINE-2,4(3H)-DIONE
Formula: C18H16N2O7
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COMPUTED DESCRIPTORS

Molecular Weight 372.3 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 372.09575085 g/mol
Monoisotopic Mass 372.09575085 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 579
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

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