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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight449.9585 [g/mol]
    Molecular FormulaC16H25HgO2
    H-Bond Donor1
    H-Bond Acceptor2
    Rotatable Bond Count7
    Tautomer Count2
    Exact Mass451.156081
    MonoIsotopic Mass451.156081
    Topological Polar Surface Area37.3
    Heavy Atom Count19
    Formal Charge0
    Complexity227
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: 7,7-dimethyloctanoic acid; phenylmercury
    Canonical SMILES: CC(C)(C)CCCCCC(=O)O.C1=CC=C(C=C1)[Hg]
    InChI: InChI=1/C10H20O2.C6H5.Hg/c1-10(2,
    3)8-6-4-5-7-9(11)12;1-2-4-6-5-3-1;/h4-8H2,1-3H3,(H,11,
    12);1-5H;/f/h11H;;/rC10H20O2.C6H5Hg/c1-10(2,
    3)8-6-4-5-7-9(11)12;7-6-4-2-1-3-5-6/h4-8H2,1-3H3,(H,11,12);1-5H/f/h11H;



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