109536-69-8 ((Benzenecarboperoxoic acid,2-carboxy-,magnesium salt (1:1))

快速询单

结构式：

Benzenecarboperoxoic acid,2-carboxy-,magnesium salt (1:1)MOL文件

CAS号：

109536-69-8

英文名称：

Benzenecarboperoxoic acid,2-carboxy-,magnesium salt (1:1)

分子式：

C₈H₄MgO₅

分子量：

204.419363021851

Benzenecarboperoxoic acid,2-carboxy-,magnesium salt (1:1)(109536-69-8)名称与标识符

名称

英文别名：

Benzenecarboperoxoic acid,2-carboxy-,magnesium salt (1:1);magnesium,2-oxidooxycarbonylbenzoate;Monoperoxyphthalic acid magnesium salt;magnesium monoperoxophthalate;Magnesium monoperoxyphthalate;magnesium monoperoxyphthalate hexahydrate;FT-0628091;DTXSID00436002;109536-69-8;USSBDBZGEDUBHE-UHFFFAOYSA-L;magnesium;2-oxidooxycarbonylbenzoate;SCHEMBL154506;

标识符

InChIKey：

USSBDBZGEDUBHE-UHFFFAOYSA-L

Inchi：

1S/C8H6O5.Mg/c9-7(10)5-3-1-2-4-6(5)8(11)13-12;/h1-4,12H,(H,9,10);/q;+2/p-2

SMILES：

[Mg+2].O(C(C1C=CC=CC=1C(=O)[O-])=O)[O-]

Benzenecarboperoxoic acid,2-carboxy-,magnesium salt (1:1)(109536-69-8)物化性质

实验特性

LogP : -0.44760
PSA : 89.49000

计算特性

精确分子量 : 203.99100
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 : 203.9909149g/mol
重原子数量 : 14
复杂度 : 207
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 : 2
拓扑分子极性表面积 : 89.5Å²

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