77370-41-3 (3-Methylbutane-1,2,3-tricarboxylic Acid,3-Methylbutane-1,2,3-tricarboxylic Acid)

快速询单

结构式：

3-Methylbutane-1,2,3-tricarboxylic AcidMOL文件

CAS号：

77370-41-3

中文名称：

3-Methylbutane-1,2,3-tricarboxylic Acid

英文名称：

3-Methylbutane-1,2,3-tricarboxylic Acid

分子式：

C₈H₁₂O₆

分子量：

204.177283287048

3-Methylbutane-1,2,3-tricarboxylic Acid(77370-41-3)名称与标识符

名称

中文别名：

3-Methylbutane-1,2,3-tricarboxylic Acid;

英文别名：

3-Methylbutane-1,2,3-tricarboxylic Acid;77370-41-3;3-methyl-1,2,3-butanetricarboxylic acid;1,1-dimethylpropane-1,2,3-tricarboxylic acid;starbld0005452;a,a-Dimethyltricarballylic Acid; 3-Methyl-1,2,3-butanecarboxylic Acid; 3-Methyl-1,2,3-butanetricarboxylic Acid; MBTCA;

标识符

InChIKey：

VMWJGTKDJFMTFZ-UHFFFAOYSA-N

Inchi：

1S/C8H12O6/c1-8(2,7(13)14)4(6(11)12)3-5(9)10/h4H,3H2,1-2H3,(H,9,10)(H,11,12)(H,13,14)

SMILES：

OC(C(C)(C)C(C(=O)O)CC(=O)O)=O

3-Methylbutane-1,2,3-tricarboxylic Acid(77370-41-3)物化性质

计算特性

精确分子量 : 204.06338810Da
氢键供体数量 : 3
氢键受体数量 : 6
可旋转化学键数量 : 5
同位素质量 : 204.06338810Da
重原子数量 : 14
复杂度 : 267
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） : -0.3
拓扑分子极性表面积 : 112Å²

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77370-41-3 (3-Methylbutane-1,2,3-tricarboxylic Acid,3-Methylbutane-1,2,3-tricarboxylic Acid)

3-Methylbutane-1,2,3-tricarboxylic Acid(77370-41-3)名称与标识符

名称

标识符

3-Methylbutane-1,2,3-tricarboxylic Acid(77370-41-3)物化性质

计算特性

3-Methylbutane-1,2,3-tricarboxylic Acid(77370-41-3)相关文献

目录