HCID12129

2,2-Diethoxyethanol

C6H14O3134.17 g/molCAS 621-63-6

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IDENTITY

结构与身份

标准SMILES: CCOC(CO)OCC
InChIKey: IKKUKDZKIIIKJK-UHFFFAOYSA-N
分子式: C6H14O3
平均分子量: 134.17 g/mol
单同位素质量: 134.0942943

COMPUTED

结构计算性质

等待补全

XLogP: 0.1
极性表面积: 38.7 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 5
重原子: 9
形式电荷: 0
复杂度: 50

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 48 条

2,2-DIETHOXYETHANOL621-63-6Ethanol, 2,2-diethoxy-Glycolaldehyde, diethyl acetal6T6P26VUF6NSC-9255EINECS 210-697-5HYDROXYACETALDEHYDE DIETHYL ACETALDTXSID602111552-Hydroxyacetaldehyde diethylacetal2-hydroxyacetaldehyde diethyl acetalNSC 9255RefChem:80996DTXCID60133646210-697-5IKKUKDZKIIIKJK-UHFFFAOYSA-NGlycolaldehyde diethyl acetal2,2-diethoxyethan-1-ol2,2-diethoxy-ethanolMFCD00051486

REACTIONS

参与反应

16 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732456B2

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uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07425634B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846700B2

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

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

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uspto-grants-2001_01 · 10.6084/m9.figshare.5104873.v1 · US06177442B1

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07285557B2

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