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  • Spiro[(6-bromo-1-hydroxyacenaphthene)-2,2'-(5',5'-dimethyl
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    Spiro[(6-bromo-1-hydroxyacenaphthene)-2,2'-(5',5'-dimethyl-1',3'-dioxane)]
    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight349.21908 [g/mol]
    Molecular FormulaC17H17BrO3
    XLogP3.5
    H-Bond Donor1
    H-Bond Acceptor3
    Rotatable Bond Count0
    Exact Mass348.036107
    MonoIsotopic Mass348.036107
    Topological Polar Surface Area38.7
    Heavy Atom Count21
    Formal Charge0
    Complexity414
    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: 6'-bromo-5,5-dimethylspiro[1,3-dioxane-2,2'-acenaphthene]-1'-ol
    Canonical SMILES: CC1(COC2(C(C3=C4C2=CC=CC4=C(C=C3)Br)O)OC1)C
    InChI: InChI=1/C17H17BrO3/c1-16(2)8-20-17(21-9-16)12-5-3-4-10-13(18)7-6-11(14
    (10)12)15(17)19/h3-7,15,19H,8-9H2,1-2H3

    ChemDrug版权识别码:48425265184836612
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