1125-58-2 (2,4-二羟基苯甲酸离子（1-）,Benzoic acid, 2,4-dihydroxy-, ion(1-))

快速询单

结构式：

2,4-二羟基苯甲酸离子（1-）MOL文件

CAS号：

1125-58-2

中文名称：

2,4-二羟基苯甲酸离子（1-）

英文名称：

Benzoic acid, 2,4-dihydroxy-, ion(1-)

分子式：

C₇H₅O₄

分子量：

153.11220240593

2,4-二羟基苯甲酸离子（1-）(1125-58-2)名称与标识符

名称

英文别名：

2-carboxy-5-hydroxyphenolate;Benzoic acid, 2,4-dihydroxy-, ion(1-);

标识符

InChIKey：

UIAFKZKHHVMJGS-UHFFFAOYSA-M

Inchi：

1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)/p-1

SMILES：

C(C1C=CC(O)=CC=1O)(=O)[O-]

2,4-二羟基苯甲酸离子（1-）(1125-58-2)物化性质

计算特性

精确分子量 : 153.01878364g/mol
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 1
同位素质量 : 153.01878364g/mol
重原子数量 : 11
复杂度 : 157
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） : 2.3
拓扑分子极性表面积 : 80.6Å²

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9. Isolation of the intermediate in 2,4-dihydroxybenzoate formation from a 3,5,7-triketo-ester
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10. Syntheses based on cyclohexadienes. Part 2. Convenient synthesis of 6-alkylsalicylates, 6-alkyl-2,4-dihydroxybenzoate, and 2,5-dialkylresorcinols
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1125-58-2 (2,4-二羟基苯甲酸离子（1-）,Benzoic acid, 2,4-dihydroxy-, ion(1-))

2,4-二羟基苯甲酸离子（1-）(1125-58-2)名称与标识符

名称

标识符

2,4-二羟基苯甲酸离子（1-）(1125-58-2)物化性质

计算特性

2,4-二羟基苯甲酸离子（1-）(1125-58-2)相关文献

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