HCID14130319

3-Chloro-4,5-dipropargyloxybenzoic acid

3-chloro-4,5-bis(prop-2-ynoxy)benzoic acid

C13H9ClO4264.66 g/molCAS 112636-60-9

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IDENTITY

结构与身份

标准SMILES: C#CCOc1cc(C(=O)O)cc(Cl)c1OCC#C
InChIKey: KZYBRHISZSNMHL-UHFFFAOYSA-N
分子式: C13H9ClO4
平均分子量: 264.66 g/mol
单同位素质量: 264.0189365

COMPUTED

结构计算性质

等待补全

XLogP: 2.2
极性表面积: 55.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 5
重原子: 18
形式电荷: 0
复杂度: 388

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

112636-60-93-chloro-4,5-dipropargyloxybenzoic acidSCHEMBL10348149DTXSID70556342KZYBRHISZSNMHL-UHFFFAOYSA-N3-Chloro-4,5-bis[(prop-2-yn-1-yl)oxy]benzoic acid

REACTIONS

相关反应

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

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uspto-grants-1989_09 · 10.6084/m9.figshare.5104873.v1 · US04870064

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uspto-grants-1989_09 · 10.6084/m9.figshare.5104873.v1 · US04870064

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uspto-grants-1990_08 · 10.6084/m9.figshare.5104873.v1 · US04946865

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uspto-grants-1990_08 · 10.6084/m9.figshare.5104873.v1 · US04946865

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uspto-grants-1990_08 · 10.6084/m9.figshare.5104873.v1 · US04946865

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