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        当前地位: 澳门葡京官网 » 材料 » 化学物质数据库 » 4-hydroxy-2-oxo-4-phenylbut-3-enoic acid,Canonical SMILES: C1=CC=C(C=

        4-hydroxy-2-oxo-4-phenylbut-3-enoic acid,Canonical SMILES: C1=CC=C(C=

        放大年夜字体  缩小字体 更新日期:2018-05-07  浏览次数:4
        新萄京娱乐场老牌网址: 4-hydroxy-2-oxo-4-phenylbut-3-enoic acid,Canonical SMILES: C1=CC=C(C=C1)C(=CC(=O)C(=O)O)O,InChI: InChI=1/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-6,11H,(H,13,,14)/f/h13H,Molecular Weight192.16812 [g/mol]Molecular FormulaC10H8O4XLogP1.4H-Bond D
        [Synonyms]

        [Structure]
         4-hydroxy-2-oxo-4-phenylbut-3-enoic acid,Canonical SMILES: C1=CC=C(C=

        [ Properties Computed from Structure]
        Molecular Weight192.16812 [g/mol]
        Molecular FormulaC10H8O4
        XLogP1.4
        H-Bond Donor2
        H-Bond Acceptor4
        Rotatable Bond Count3
        Tautomer Count3
        Exact Mass192.042259
        MonoIsotopic Mass192.042259
        Topological Polar Surface Area74.6
        Heavy Atom Count14
        Formal Charge0
        Complexity261
        Isotope Atom Count0
        Defined Atom StereoCenter Count0
        Undefined Atom StereoCenter Count0
        Defined Bond StereoCenter Count0
        Undefined Bond StereoCenter Count1
        Covalently-Bonded Unit Count1

        [ Descriptors Computed from Structure]
        IUPAC Name: 4-hydroxy-2-oxo-4-phenylbut-3-enoic acid
        Canonical SMILES: C1=CC=C(C=C1)C(=CC(=O)C(=O)O)O
        InChI: InChI=1/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-6,11H,(H,13,
        14)/f/h13H

         
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