HCID12961139

2-(3-Chloro-4-hydroxyphenyl)-2-oxoacetic acid

C8H5ClO4200.57 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)C(=O)c1ccc(O)c(Cl)c1
InChIKey: HGZZXAIQRPGHLO-UHFFFAOYSA-N
分子式: C8H5ClO4
平均分子量: 200.57 g/mol
单同位素质量: 199.9876363

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 74.6 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 228

ALIASES

名称与别名

共 6 条

2-(3-chloro-4-hydroxyphenyl)-2-oxoacetic acid61561-00-0SCHEMBL7831951HGZZXAIQRPGHLO-UHFFFAOYSA-N2-(3-Chloro-4-hydroxyphenyl)glyoxylic acidEN300-1984782

REACTIONS

参与反应

51 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 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-1979_08 · 10.6084/m9.figshare.5104873.v1 · US04166115

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uspto-grants-1979_08 · 10.6084/m9.figshare.5104873.v1 · US04166115

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uspto-grants-1979_08 · 10.6084/m9.figshare.5104873.v1 · US04166115

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uspto-grants-1979_08 · 10.6084/m9.figshare.5104873.v1 · US04166115

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

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uspto-grants-1985_10 · 10.6084/m9.figshare.5104873.v1 · US04544653

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