HCID27282213

Ethyl (4-cyclopropylsulfonylphenyl)oxoacetate

ethyl 2-(4-cyclopropylsulfonylphenyl)-2-oxoacetate

C13H14O5S282.31 g/molCAS 876063-40-0

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C(=O)c1ccc(S(=O)(=O)C2CC2)cc1
InChIKey: SIDMNZQKIXFCKM-UHFFFAOYSA-N
分子式: C13H14O5S
平均分子量: 282.31 g/mol
单同位素质量: 282.05619472

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 85.9 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 6
重原子: 19
形式电荷: 0
复杂度: 450

ALIASES

名称与别名

共 15 条

876063-40-0ETHYL (4-CYCLOPROPYLSULFONYLPHENYL)OXOACETATEethyl 2-(4-(cyclopropylsulfonyl)phenyl)-2-oxoacetateethyl 2-(4-cyclopropylsulfonylphenyl)-2-oxoacetateETHYL 2-[4-(CYCLOPROPANESULFONYL)PHENYL]-2-OXOACETATEEthyl 2-[4-(cyclopropylsulfonyl)phenyl]-2-oxoacetate(4-Cyclopropanesulfonyl-phenyl)-oxo-acetic acid ethyl esterSCHEMBL184966C13H14O5SDTXSID50650716SIDMNZQKIXFCKM-UHFFFAOYSA-NMFCD09991691DA-01767Ethyl [4-(cyclopropanesulfonyl)phenyl](oxo)acetateethyl [4-(cyclopropylsulfonyl)phenyl](oxo)acetate

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08318746B2

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