HCID590774

Ethofumesate-2-keto

(3,3-dimethyl-2-oxo-1-benzofuran-5-yl) methanesulfonate

C11H12O5S256.28 g/molCAS 26244-33-7

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IDENTITY

结构与身份

标准SMILES: CC1(C)C(=O)Oc2ccc(OS(C)(=O)=O)cc21
InChIKey: CXWYCAYNZXSHTF-UHFFFAOYSA-N
分子式: C11H12O5S
平均分子量: 256.28 g/mol
单同位素质量: 256.04054465

COMPUTED

结构计算性质

等待补全

XLogP: 1.8
极性表面积: 78.1 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 420

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 28 条

Ethofumesate-2-keto26244-33-7CHEBI:83510DTXSID90343594RefChem:1084632DTXCID30294672(3,3-dimethyl-2-oxo-1-benzofuran-5-yl) methanesulfonate3,3-Dimethyl-2-oxo-2,3-dihydrobenzofuran-5-yl methanesulfonate3,3-Dimethyl-2-oxo-2,3-dihydro-1-benzofuran-5-yl methanesulfonate2-Keto ethofumesate2(3H)-Benzofuranone, 3,3-dimethyl-5-[(methylsulfonyl)oxy]-SCHEMBL11258896ethofumesate 2-keto (NC 9607)2(3H)-Benzofuranone, 5-hydroxy-3,3-dimethyl-, methanesulfonateBBA24433MFCD01632378MSK22222-100ANS00004001EN300-298049Ethofumesate-2-keto 10 |Ig/mL in Cyclohexane

REACTIONS