HCID12181

Methyl but-2-enoate

C5H8O2100.12 g/molCAS 18707-60-3

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IDENTITY

结构与身份

标准SMILES: CC=CC(=O)OC
InChIKey: MCVVUJPXSBQTRZ-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: 0.9
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 7
形式电荷: 0
复杂度: 84

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 14 条

methyl but-2-enoateRefChem:1089552methyl butenoatemethyl 3-methylacrylatemethyl-3-methylacrylateSCHEMBL37099SCHEMBL294474SCHEMBL1464171SCHEMBL1877444SCHEMBL1877447SCHEMBL3987201SCHEMBL4921734SCHEMBL9569403AKOS025243552

REACTIONS

参与反应

21 条

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 (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 (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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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 (8/10) · 10.1039/C8SC04228D

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uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07951958B2

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