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  • Trineopentyl orthoborate,Neopentyl borate (C5H11O)3B,NSC7433,EINECS 22
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    Trineopentyl orthoborate
    Neopentyl borate (C5H11O)3B
    NSC7433
    EINECS 226-712-3
    5456-06-4

    [Structure]
    Trineopentyl orthoborate,Neopentyl borate (C5H11O)3B,NSC7433,EINECS 22

    [ Properties Computed from Structure]
    Molecular Weight272.23172 [g/mol]
    Molecular FormulaC15H33BO3
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count9
    Exact Mass272.252275
    MonoIsotopic Mass272.252275
    Topological Polar Surface Area27.7
    Heavy Atom Count19
    Formal Charge0
    Complexity203
    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: tris(2,2-dimethylpropoxy)borane
    Canonical SMILES: B(OCC(C)(C)C)(OCC(C)(C)C)OCC(C)(C)C
    InChI: InChI=1/C15H33BO3/c1-13(2,3)10-17-16(18-11-14(4,5)6)19-12-15(7,
    8)9/h10-12H2,1-9H3

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