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  • EINECS 242-084-3,4-Hydroxy-1,3-bis(hydroxymethyl)-5-methoxyimidazolidi
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    EINECS 242-084-3
    4-Hydroxy-1,3-bis(hydroxymethyl)-5-methoxyimidazolidin-2-one
    18191-00-9

    [Structure]
    EINECS 242-084-3,4-Hydroxy-1,3-bis(hydroxymethyl)-5-methoxyimidazolidi

    [ Properties Computed from Structure]
    Molecular Weight192.16988 [g/mol]
    Molecular FormulaC6H12N2O5
    XLogP-1.4
    H-Bond Donor3
    H-Bond Acceptor5
    Rotatable Bond Count3
    Exact Mass192.074622
    MonoIsotopic Mass192.074622
    Topological Polar Surface Area93.5
    Heavy Atom Count13
    Formal Charge0
    Complexity200
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count2
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 4-hydroxy-1,3-bis(hydroxymethyl)-5-methoxyimidazolidin-2-one
    Canonical SMILES: COC1C(N(C(=O)N1CO)CO)O
    InChI: InChI=1/C6H12N2O5/c1-13-5-4(11)7(2-9)6(12)8(5)3-10/h4-5,9-11H,2-3H2,1H3

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