HCID554274

7,7-Dimethoxyheptanal

C9H18O3174.24 g/molCAS 60090-77-9

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IDENTITY

结构与身份

标准SMILES: COC(CCCCCC=O)OC
InChIKey: ZSCWUFCWRFKZGG-UHFFFAOYSA-N
分子式: C9H18O3
平均分子量: 174.24 g/mol
单同位素质量: 174.12559443

COMPUTED

结构计算性质

等待补全

XLogP: 1.1
极性表面积: 35.5 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 8
重原子: 12
形式电荷: 0
复杂度: 99

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 13 条

7,7-Dimethoxyheptanal60090-77-9Heptanal, 7,7-dimethoxy-DTXSID00339185RefChem:309878DTXCID40290266ZSCWUFCWRFKZGG-UHFFFAOYSA-N7,7-dimethoxy-heptanal7-dimethoxy heptanal7,7-Dimethoxyheptanal #SCHEMBL2494420AKOS006285172DB-350681

REACTIONS

相关反应

9 条

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

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uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08080565B2

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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 · US07285564B2

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uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07285564B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2011_10 · 10.6084/m9.figshare.5104873.v1 · US08030502B2

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uspto-grants-2011_10 · 10.6084/m9.figshare.5104873.v1 · US08030502B2

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