HCID33479

4-Pentylbenzoic acid

C12H16O2192.25 g/molCAS 26311-45-5

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IDENTITY

结构与身份

标准SMILES: CCCCCc1ccc(C(=O)O)cc1
InChIKey: CWYNKKGQJYAHQG-UHFFFAOYSA-N
分子式: C12H16O2
平均分子量: 192.25 g/mol
单同位素质量: 192.11502975

COMPUTED

结构计算性质

等待补全

XLogP: 4.5
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 5
重原子: 14
形式电荷: 0
复杂度: 169

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 52 条

4-Pentylbenzoic acidBenzoic acid, 4-pentyl-4-n-Pentylbenzoic acid4-Amylbenzoic acidp-Pentylbenzoic acidp-Amylbenzoic acidPara-Pentylbenzoic acidBENZOIC ACID, p-PENTYL-p-n-pentylbenzoic acidNSC 169024ET3KL92DDGEINECS 247-607-9BRN 2044798p-n-Amylbenzoic acidUNII-ET3KL92DDGNSC-169024DTXSID60672003-09-00-02551 (Beilstein Handbook Reference)pAmylbenzoic acid4Amylbenzoic acid

REACTIONS

参与反应

19 条

uspto-grants-2003_11 · 10.6084/m9.figshare.5104873.v1 · US06649230B1

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2008_04 · 10.6084/m9.figshare.5104873.v1 · US07357964B2

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uspto-grants-2000_04 · 10.6084/m9.figshare.5104873.v1 · US06051288

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uspto-grants-1994_01 · 10.6084/m9.figshare.5104873.v1 · US05279764

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