98136-13-1 ((2-Propenoic acid, 1-carboxyethyl ester)

快速询单

结构式：

2-Propenoic acid, 1-carboxyethyl esterMOL文件

CAS号：

98136-13-1

英文名称：

2-Propenoic acid, 1-carboxyethyl ester

分子式：

C₆H₈O₄

分子量：

144.125322341919

2-Propenoic acid, 1-carboxyethyl ester(98136-13-1)名称与标识符

名称

英文别名：

2-Propenoic acid, 1-carboxyethyl ester;1-Carboxyethyl 2-propenoate;SCHEMBL37396;AKOS006378264;2-acryloxypropionic acid;98136-13-1;DTXSID201310313;

标识符

InChIKey：

CUTWSDAQYCQTGD-UHFFFAOYSA-N

Inchi：

1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9/h3-4H,1H2,2H3,(H,8,9)

SMILES：

O(C(C=C)=O)C(C(=O)O)C

2-Propenoic acid, 1-carboxyethyl ester(98136-13-1)物化性质

计算特性

精确分子量 : 144.04225873Da
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 4
同位素质量 : 144.04225873Da
重原子数量 : 10
复杂度 : 161
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 : 1
确定化学键立构中心数量 : 0
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） : 0.7
拓扑分子极性表面积 : 63.6Å²

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98136-13-1 ((2-Propenoic acid, 1-carboxyethyl ester)

2-Propenoic acid, 1-carboxyethyl ester(98136-13-1)名称与标识符

名称

标识符

2-Propenoic acid, 1-carboxyethyl ester(98136-13-1)物化性质

计算特性

2-Propenoic acid, 1-carboxyethyl ester(98136-13-1)相关文献

目录