HCID543977

7-Octenoic acid

oct-7-enoic acid

C8H14O2142.2 g/molCAS 18719-24-9

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IDENTITY

结构与身份

标准SMILES: C=CCCCCCC(=O)O
InChIKey: OZYYQTRHHXLTKX-UHFFFAOYSA-N
分子式: C8H14O2
平均分子量: 142.2 g/mol
单同位素质量: 142.09937969

COMPUTED

结构计算性质

等待补全

XLogP: 2.2
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 6
重原子: 10
形式电荷: 0
复杂度: 108

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 29 条

7-Octenoic acidoct-7-enoic acid18719-24-9UMY8YV4JPRDTXSID30337674RefChem:106493DTXCID60288761686-909-9MFCD02258724oct-7-enoicacidUNII-UMY8YV4JPR7-Octenoic acid, 97%SCHEMBL4815397-Octenoic acid; C8:1n-1orb3023313SCHEMBL3176467SCHEMBL7780721CHEBI:180307C8:1n-1LMFA01030576

REACTIONS

参与反应

13 条

uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04220795

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uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04220795

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uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04224028

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09446394B2

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2006_10 · 10.6084/m9.figshare.5104873.v1 · US07129380B2

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uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09073801B2

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