64-15-3 (2-氧代戊二酸离子,Pentanedioic acid,2-oxo-, ion(2-))

快速询单

结构式：

2-氧代戊二酸离子MOL文件

CAS号：

64-15-3

中文名称：

2-氧代戊二酸离子

英文名称：

Pentanedioic acid,2-oxo-, ion(2-)

分子式：

C₅H₄O₅

分子量：

144.082262039185

2-氧代戊二酸离子(64-15-3)名称与标识符

名称

中文别名：

2-氧代戊二酸离子;

英文别名：

Pentanedioic acid,2-oxo-, ion(2-);Glutaricacid, 2-oxo-, ion(2-) (8CI);2-oxopentanedioate;

标识符

InChIKey：

KPGXRSRHYNQIFN-UHFFFAOYSA-L

Inchi：

1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-2

SMILES：

O=C(C(=O)[O-])CCC(=O)[O-]

2-氧代戊二酸离子(64-15-3)物化性质

实验特性

沸点 : 345.6°Cat760mmHg
闪点 : 177°C

计算特性

精确分子量 : 144.006
氢键供体数量 : 0
氢键受体数量 : 5
可旋转化学键数量 : 2
同位素质量 : 144.006
重原子数量 : 10
复杂度 : 160
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 : 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） : 0.4
拓扑分子极性表面积 : 97.3Å²

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