HCID81326

1-Methylcyclopropanecarboxylic acid

1-methylcyclopropane-1-carboxylic acid

C5H8O2100.12 g/molCAS 6914-76-7

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IDENTITY

结构与身份

标准SMILES: CC1(C(=O)O)CC1
InChIKey: DIZKLZKLNKQFGB-UHFFFAOYSA-N
分子式: C5H8O2
平均分子量: 100.12 g/mol
单同位素质量: 100.05242949

COMPUTED

结构计算性质

等待补全

XLogP: 0.6
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 7
形式电荷: 0
复杂度: 103

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 49 条

1-Methylcyclopropane-1-carboxylic acid6914-76-71-Methylcyclopropanecarboxylic acidCyclopropanecarboxylic acid, 1-methyl-EINECS 230-020-7DIZKLZKLNKQFGB-UHFFFAOYSA-DTXSID50219201RefChem:76381DTXCID30141692230-020-7DIZKLZKLNKQFGB-UHFFFAOYSA-NInChI=1/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)1-Methyl-cyclopropanecarboxylic acidMFCD000012901-methylcyclopropanoic acidCHEMBL45168371-METHYLCYCLOPROPANE-1-CARBOXYLICACIDSCHEMBL113962GTPL6500SCHEMBL3142908

REACTIONS

参与反应

97 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07728030B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829007B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829007B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846647B2

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

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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 (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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