HCID464

Hippuric Acid

2-benzamidoacetic acid

C9H9NO3179.17 g/molCAS 495-69-2

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IDENTITY

结构与身份

标准SMILES: O=C(O)CNC(=O)c1ccccc1
InChIKey: QIAFMBKCNZACKA-UHFFFAOYSA-N
分子式: C9H9NO3
平均分子量: 179.17 g/mol
单同位素质量: 179.05824315

COMPUTED

结构计算性质

等待补全

XLogP: 0.3
极性表面积: 66.4 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 3
重原子: 13
形式电荷: 0
复杂度: 197

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 128 条

Hippuric acid495-69-22-Benzamidoacetic acidN-BenzoylglycineBenzoylglycineGlycine, N-benzoyl-Benzamidoacetic acidBenzoylaminoacetic acidhippurateHippursaeurePhenylcarbonylaminoacetic acidBenzamidoessigsaeure2-(Phenylformamido)Acetic AcidBenzoylaminoessigsaeureAcido ippuricoDTXSID9046073TE0865N2ETHIPPURICUM ACIDUMNSC-9982DTXCID7026073

REACTIONS

相关反应

92 条

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04726941

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07390830B1

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uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07390830B1

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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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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193204B2

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