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  • NSC353663 3-(6-methoxy-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC353663
    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight330.33192 [g/mol]
    Molecular FormulaC18H18O6
    XLogP2.7
    H-Bond Donor1
    H-Bond Acceptor6
    Rotatable Bond Count6
    Exact Mass330.110338
    MonoIsotopic Mass330.110338
    Topological Polar Surface Area74.2
    Heavy Atom Count24
    Formal Charge0
    Complexity420
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 3-(6-methoxy-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanoic acid
    Canonical SMILES: COC1=CC=C(C=C1)C(CC(=O)O)C2=CC3=C(C=C2OC)OCO3
    InChI: InChI=1/C18H18O6/c1-21-12-5-3-11(4-6-12)13(8-18(19)20)14-7-16-17(24-10-
    23-16)9-15(14)22-2/h3-7,9,13H,8,10H2,1-2H3,(H,19,20)/f/h19H

    ChemDrug版权识别码:67028144074665613166
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