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  • NSC169644,ZINC01678473,33493-30-0, dimethoxyphosphoryl-(4-methylphenyl
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC169644
    ZINC01678473
    33493-30-0

    [Structure]
    NSC169644,ZINC01678473,33493-30-0, dimethoxyphosphoryl-(4-methylphenyl

    [ Properties Computed from Structure]
    Molecular Weight228.181581 [g/mol]
    Molecular FormulaC10H13O4P
    XLogP1.3
    H-Bond Donor0
    H-Bond Acceptor4
    Rotatable Bond Count4
    Exact Mass228.055145
    MonoIsotopic Mass228.055145
    Topological Polar Surface Area52.6
    Heavy Atom Count15
    Formal Charge0
    Complexity261
    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: dimethoxyphosphoryl-(4-methylphenyl)methanone
    Canonical SMILES: CC1=CC=C(C=C1)C(=O)P(=O)(OC)OC
    InChI: InChI=1/C10H13O4P/c1-8-4-6-9(7-5-8)10(11)15(12,13-2)14-3/h4-7H,1-3H3

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