HCID45097643

2-Methyl-N-(3-methyl-4-nitrophenyl)acrylamide

2-methyl-N-(3-methyl-4-nitrophenyl)prop-2-enamide

C11H12N2O3220.22 g/mol

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IDENTITY

结构与身份

标准SMILES: C=C(C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1
InChIKey: QQYYZGLUMCWMPK-UHFFFAOYSA-N
分子式: C11H12N2O3
平均分子量: 220.22 g/mol
单同位素质量: 220.08479225

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 74.9 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 309

ALIASES

名称与别名

共 6 条

SCHEMBL2764399QQYYZGLUMCWMPK-UHFFFAOYSA-N821764-65-2DB-2823332-Methyl-N-(3-methyl-4-nitrophenyl)acrylamide2-Propenamide, 2-methyl-N-(3-methyl-4-nitrophenyl)-

REACTIONS

相关反应

4 条

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07390923B2

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uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07390923B2

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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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