HCID21031493

2,2-Dimethyl-3-(toluene-4-sulfonyloxy)butyric acid methyl ester

methyl 2,2-dimethyl-3-(4-methylphenyl)sulfonyloxybutanoate

C14H20O5S300.37 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C(C)(C)C(C)OS(=O)(=O)c1ccc(C)cc1
InChIKey: CYMNTFYAKOAZRB-UHFFFAOYSA-N
分子式: C14H20O5S
平均分子量: 300.37 g/mol
单同位素质量: 300.10314491

COMPUTED

结构计算性质

等待补全

XLogP: 2.8
极性表面积: 78.1 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 6
重原子: 20
形式电荷: 0
复杂度: 427

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL65800CYMNTFYAKOAZRB-UHFFFAOYSA-N2,2-dimethyl-3-(toluene-4-sulfonyloxy)-butyric acid methyl ester2,2-dimethyl-3-(toluene-4-sulfonyloxy)butyric acid methyl ester

REACTIONS

参与反应

17 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07935704B2

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uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07935704B2

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uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08247552B2

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uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08247552B2

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uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129527B2

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uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129527B2

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uspto-grants-2006_06 · 10.6084/m9.figshare.5104873.v1 · US07064201B2

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