HCID2769481

Methyl 2-isocyanato-3-phenylpropanoate

C11H11NO3205.21 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)C(Cc1ccccc1)N=C=O
InChIKey: JOTMMIYKEOOTNZ-UHFFFAOYSA-N
分子式: C11H11NO3
平均分子量: 205.21 g/mol
单同位素质量: 205.07389321

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 55.7 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 5
重原子: 15
形式电荷: 0
复杂度: 253

ALIASES

名称与别名

共 13 条

methyl 2-isocyanato-3-phenylpropanoate2-isocyanato-3-phenyl-propionic acid methyl esterMethyl 2-isocyanato-3-phenyl-propanoateMethyl (2S)-2-isocyanato-3-phenyl-propanoate56753-76-5SCHEMBL820965JOTMMIYKEOOTNZ-UHFFFAOYSA-Nmethyl N-(oxomethylene)phenylalaninateAKOS005171741DB-0693271-Isocyanato-1-methoxycarbonyl-2-phenylethane2-isocyanato-3-phenylpropionic acid methyl esterEN300-1458569

REACTIONS