HCID997

Phenylpyruvic acid

2-oxo-3-phenylpropanoic acid

C9H8O3164.16 g/molCAS 156-06-9

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IDENTITY

结构与身份

标准SMILES: O=C(O)C(=O)Cc1ccccc1
InChIKey: BTNMPGBKDVTSJY-UHFFFAOYSA-N
分子式: C9H8O3
平均分子量: 164.16 g/mol
单同位素质量: 164.04734411

COMPUTED

结构计算性质

等待补全

XLogP: 1.3
极性表面积: 54.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 180

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 94 条

phenylpyruvic acid156-06-92-Oxo-3-phenylpropanoic acid3-Phenylpyruvic acidbeta-Phenylpyruvic acid3-Phenyl-2-oxopropanoic acid2-OXO-3-PHENYLPROPIONIC ACIDketo-phenylpyruvic acidBenzenepropanoic acid, alpha-oxo-alpha-ketohydrocinnamic acidDTXSID10422812-Oxo-3-phenylpropanic acidCHEBI:30851X7CO62M413alpha-oxo-benzenepropanoic acidDTXCID9022281RefChem:861822205-847-1phenylpyruvatePyruvic acid, phenyl-

REACTIONS

相关反应

71 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08535920B2

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uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07390909B2

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uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07390909B2

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08202711B2

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07868187B2

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07868187B2

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

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uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07537912B2

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