HCID4613278

tert-Butyl carbonate

C5H9O3-117.12 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)[O-]
InChIKey: XKXIQBVKMABYQJ-UHFFFAOYSA-M
分子式: C5H9O3-
平均分子量: 117.12 g/mol
单同位素质量: 117.05516915

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 49.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 8
形式电荷: -1
复杂度: 84

ALIASES

名称与别名

共 9 条

tert-butyl carbonateRefChem:894633t-butyl carbonatet-butyl-carbonatetert-butylcarbonatetertbutyl carbonatetert-butyl-carbonatetert. butyl carbonateXKXIQBVKMABYQJ-UHFFFAOYSA-M

REACTIONS

参与反应

27 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 (6/10) · 10.1039/C8SC04228D

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uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653260B2

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uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653260B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748433B2

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uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07902369B2

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

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uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09186354B2

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