149-63-3 (2-氧代丁二酸,Butanedioic acid,2-oxo-, ion(2-))

快速询单

结构式：

2-氧代丁二酸MOL文件

CAS号：

149-63-3

中文名称：

2-氧代丁二酸

英文名称：

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

分子式：

C₄H₂O₅

分子量：

130.055681705475

2-氧代丁二酸(149-63-3)名称与标识符

名称

中文别名：

2-羰基丁二酸;2-氧代丁二酸;

英文别名：

Butanedioic acid,2-oxo-, ion(2-);2-oxobutanedioic acid;oxo-Butanedioic acid, ion(2-);Butanedioicacid, oxo-, ion(2-) (9CI);Oxalacetate;oxaloacetate(2-);oxobutanedioic acid, ion(2-);Q27101912;oxaloacetate dianion;keto-oxaloacetate;KHPXUQMNIQBQEV-UHFFFAOYSA-L;Butanedioic acid, oxo-, ion(2-);CHEBI:16452;149-63-3;2-oxobutanedioate;Oxobutanedioate;3p4q;oxosuccinate;

标识符

InChIKey：

KHPXUQMNIQBQEV-UHFFFAOYSA-L

Inchi：

1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-2

SMILES：

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

2-氧代丁二酸(149-63-3)物化性质

实验特性

PSA : 97.33

计算特性

精确分子量 : 129.99016
氢键供体数量 : 0
氢键受体数量 : 5
可旋转化学键数量 : 1
同位素质量 : 129.990223
重原子数量 : 9
复杂度 : 147
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） : 0.7
拓扑分子极性表面积 : 97.3

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