HCID10330348

12-Hydroxydodecanenitrile

C12H23NO197.32 g/molCAS 73782-16-8

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IDENTITY

结构与身份

标准SMILES: N#CCCCCCCCCCCCO
InChIKey: SSGNMFSMEJUJNI-UHFFFAOYSA-N
分子式: C12H23NO
平均分子量: 197.32 g/mol
单同位素质量: 197.17796436

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 44 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 10
重原子: 14
形式电荷: 0
复杂度: 148

ALIASES

名称与别名

共 11 条

12-hydroxydodecanenitrile73782-16-8DTXSID40438186RefChem:236392DTXCID4038900812-hydroxydodecanonitrileDodecanenitrile, 12-hydroxy-starbld0004866SCHEMBL1580084SSGNMFSMEJUJNI-UHFFFAOYSA-NAKOS030255122

REACTIONS

参与反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 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-1980_10 · 10.6084/m9.figshare.5104873.v1 · US04230628

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uspto-grants-1980_10 · 10.6084/m9.figshare.5104873.v1 · US04230628

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uspto-grants-1981_07 · 10.6084/m9.figshare.5104873.v1 · US04281018

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uspto-grants-1981_07 · 10.6084/m9.figshare.5104873.v1 · US04281018

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