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  • [Synonyms]
    NSC281232
    64402-72-8

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight268.205681 [g/mol]
    Molecular FormulaC11H13N2O4P
    XLogP0.2
    H-Bond Donor0
    H-Bond Acceptor4
    Rotatable Bond Count2
    Exact Mass268.061293
    MonoIsotopic Mass268.061293
    Topological Polar Surface Area66.9
    Heavy Atom Count18
    Formal Charge0
    Complexity382
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 1,3-dimethyl-2-oxo-2-(phenoxy)-1,3-diaza-2λ5-phosphacyclohexane-4,
    6-dione
    Canonical SMILES: CN1C(=O)CC(=O)N(P1(=O)OC2=CC=CC=C2)C
    InChI: InChI=1/C11H13N2O4P/c1-12-10(14)8-11(15)13(2)18(12,
    16)17-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3



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