925-56-4 (（e） -3-氰基-2-丙烯酸甲酯,(e)-methyl 3-cyano-2-propenoate)

快速询单

结构式：

（e） -3-氰基-2-丙烯酸甲酯MOL文件

CAS号：

925-56-4

中文名称：

（e） -3-氰基-2-丙烯酸甲酯

英文名称：

(e)-methyl 3-cyano-2-propenoate

分子式：

C₅H₅NO₂

分子量：

111.098701238632

（e） -3-氰基-2-丙烯酸甲酯(925-56-4)名称与标识符

名称

英文别名：

(e)-methyl 3-cyano-2-propenoate;methyl (E)-3-cyanoprop-2-enoate;AKOS022180876;AMY6967;44653-08-9;EN300-3612095;Methyl3-cyanoacrylate;METHYL (2E)-3-CYANOPROP-2-ENOATE;(e)-methyl 3-cyanoacrylate;methyl-3-cyanoacrylate;925-56-4;Methyl 3-cyanoacrylate;

标识符

InChIKey：

AJXIQWIGXITQSV-NSCUHMNNSA-N

Inchi：

1S/C5H5NO2/c1-8-5(7)3-2-4-6/h2-3H,1H3/b3-2+

SMILES：

O(C)C(/C=C/C#N)=O

（e） -3-氰基-2-丙烯酸甲酯(925-56-4)物化性质

实验特性

折射率 : 1.443
沸点 : 190.1°C at 760 mmHg
闪点 : 76.4°C
密度 : 1.094

计算特性

精确分子量 : 111.032028402g/mol
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 2
同位素质量 : 111.032028402g/mol
重原子数量 : 8
复杂度 : 151
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 1
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.1
拓扑分子极性表面积 : 50.1Å²

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