HCID85526

3-(4-Nitrophenyl)propanoic acid

C9H9NO4195.17 g/molCAS 16642-79-8

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IDENTITY

结构与身份

标准SMILES: O=C(O)CCc1ccc([N+](=O)[O-])cc1
InChIKey: VZOPVJNBOQOLPN-UHFFFAOYSA-N
分子式: C9H9NO4
平均分子量: 195.17 g/mol
单同位素质量: 195.05315777

COMPUTED

结构计算性质

等待补全

XLogP: 1.3
极性表面积: 83.1 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 14
形式电荷: 0
复杂度: 215

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 53 条

3-(4-nitrophenyl)propanoic acid3-{4-nitrophenyl}propanoic acidRefChem:493372672-244-116642-79-83-(4-nitrophenyl)propionic acidBenzenepropanoic acid, 4-nitro-MFCD001268343-(4-nitrophenyl)-propionic acid3-(4-Nitrophenyl) propionic acid3-(p-nitrophenyl)propanoic acidp-nitrohydrocinnamic acidNSC99345p-Nitrohydrozimtsaure4-Nitrohydrocinnamic Acidpara-Nitrohyrocinnamic acidPara-Nitrohydrocinnamic acidNCIOpen2_001929Oprea1_686058SCHEMBL350869

REACTIONS

相关反应

15 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07423159B2

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uspto-grants-1995_05 · 10.6084/m9.figshare.5104873.v1 · US05414108

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uspto-grants-1982_08 · 10.6084/m9.figshare.5104873.v1 · US04343893

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

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uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05834506

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uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05834506

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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_03 · 10.6084/m9.figshare.5104873.v1 · US08993574B2

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