HCID11173032

methyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2,2-dimethylpropanoate

methyl 3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropanoate

C14H15NO4261.27 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C(C)(C)CN1C(=O)c2ccccc2C1=O
InChIKey: PLASXGNZEWHIFZ-UHFFFAOYSA-N
分子式: C14H15NO4
平均分子量: 261.27 g/mol
单同位素质量: 261.10010796

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 63.7 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 4
重原子: 19
形式电荷: 0
复杂度: 392

ALIASES

名称与别名

共 5 条

SCHEMBL1889560PLASXGNZEWHIFZ-UHFFFAOYSA-NAKOS018186026methyl 3-(1,3-dioxoisoindolin-2-yl)-2,2-dimethylpropanoatemethyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2,2-dimethylpropanoate

REACTIONS

参与反应

3 条

uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07947686B2

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08173659B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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