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  • ZINC00059203 2-[[(2R)-oxolan-2-yl]methyl]isoindole-1,3-dione,Canonical
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    ZINC00059203
    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight231.24722 [g/mol]
    Molecular FormulaC13H13NO3
    XLogP1.5
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count2
    Exact Mass231.089543
    MonoIsotopic Mass231.089543
    Topological Polar Surface Area46.6
    Heavy Atom Count17
    Formal Charge0
    Complexity318
    Isotope Atom Count0
    Defined Atom StereoCenter Count1
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-[[(2R)-oxolan-2-yl]methyl]isoindole-1,3-dione
    Canonical SMILES: C1CC(OC1)CN2C(=O)C3=CC=CC=C3C2=O
    Isomeric SMILES: C1C[C@@H](OC1)CN2C(=O)C3=CC=CC=C3C2=O
    InChI: InChI=1/C13H13NO3/c15-12-10-5-1-2-6-11(10)13(16)14(12)8-9-4-3-7-17-9/h1-
    2,5-6,9H,3-4,7-8H2/t9-/m1/s1

    ChemDrug版权识别码:160638707463100703732
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