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            当前地位: 澳门葡京官网 » 材料 » 化学物质数据库 » ZINC00085407,ZINC05248793,20577-73-5, methyl 4-hydroxy-2-oxo-4-phenylb

            ZINC00085407,ZINC05248793,20577-73-5, methyl 4-hydroxy-2-oxo-4-phenylb

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            新萄京娱乐场老牌网址:ZINC00085407,ZINC05248793,20577-73-5, methyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate,Canonical SMILES: COC(=O)C(=O)C=C(C1=CC=CC=C1)O,InChI: InChI=1/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-7,12H,1H3,Molecular Weight206.1947 [g/mol]Molecular Fo
            [Synonyms]
            ZINC00085407
            ZINC05248793
            20577-73-5

            [Structure]
            ZINC00085407,ZINC05248793,20577-73-5, methyl 4-hydroxy-2-oxo-4-phenylb

            [ Properties Computed from Structure]
            Molecular Weight206.1947 [g/mol]
            Molecular FormulaC11H10O4
            XLogP1.8
            H-Bond Donor1
            H-Bond Acceptor4
            Rotatable Bond Count4
            Tautomer Count3
            Exact Mass206.057909
            MonoIsotopic Mass206.057909
            Topological Polar Surface Area63.6
            Heavy Atom Count15
            Formal Charge0
            Complexity274
            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: methyl 4-hydroxy-2-oxo-4-phenylbut-3-enoate
            Canonical SMILES: COC(=O)C(=O)C=C(C1=CC=CC=C1)O
            InChI: InChI=1/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-7,12H,1H3

             
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