HCID340163

Methyl alpha-acetamidocinnamate

methyl 2-acetamido-3-phenylprop-2-enoate

C12H13NO3219.24 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C(=Cc1ccccc1)NC(C)=O
InChIKey: USKHBABPFFAKJD-UHFFFAOYSA-N
分子式: C12H13NO3
平均分子量: 219.24 g/mol
单同位素质量: 219.08954328

COMPUTED

结构计算性质

等待补全

XLogP: 1.6
极性表面积: 55.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 4
重原子: 16
形式电荷: 0
复杂度: 291

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 7 条

methyl alpha-acetamidocinnamateMETHYL (2Z)-2-ACETAMIDO-3-PHENYLPROP-2-ENOATEMethyl AcetamidocinnamateMETHYL 2-ACETAMIDO-3-PHENYL-PROP-2-ENOATESCHEMBL186729USKHBABPFFAKJD-UHFFFAOYSA-Nmethyl-2-acetamido-3-phenylpropenoate

REACTIONS

参与反应

7 条

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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uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07935841B2

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-1988_05 · 10.6084/m9.figshare.5104873.v1 · US04743547

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uspto-grants-1987_03 · 10.6084/m9.figshare.5104873.v1 · US04654176

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

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