HCID5235508

Decyl methanesulfonate

C11H24O3S236.37 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCCCCCCCOS(C)(=O)=O
InChIKey: AGHOUEDRPDQZBI-UHFFFAOYSA-N
分子式: C11H24O3S
平均分子量: 236.37 g/mol
单同位素质量: 236.1446158

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 51.8 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 10
重原子: 15
形式电荷: 0
复杂度: 216

ALIASES

名称与别名

共 11 条

decyl methanesulfonateMethanesulfonic acid decyl esterDECYL METHANE SULFATEMethanesulfonic acid,decyl esterdecyl methylsulfonatedecyl methane sulfonate1-decanol methanesulfonateSCHEMBL1515886AGHOUEDRPDQZBI-UHFFFAOYSA-NHY-W986917BP-43356

REACTIONS

参与反应

6 条

uspto-grants-1977_07 · 10.6084/m9.figshare.5104873.v1 · US04036828

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uspto-grants-1977_07 · 10.6084/m9.figshare.5104873.v1 · US04036828

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-1994_10 · 10.6084/m9.figshare.5104873.v1 · US05354747

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uspto-grants-1995_10 · 10.6084/m9.figshare.5104873.v1 · US05461047

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