78644-42-5 ((Butanedioic acid,2-hydroxy-, homopolymer)

快速询单

结构式：

Butanedioic acid,2-hydroxy-, homopolymerMOL文件

CAS号：

78644-42-5

英文名称：

Butanedioic acid,2-hydroxy-, homopolymer

分子式：

C₄H₆O₅

分子量：

134.087441921234

植物源：

罗比梅密刺蔷薇山尖子

Butanedioic acid,2-hydroxy-, homopolymer(78644-42-5)名称与标识符

名称

英文别名：

Butanedioic acid,2-hydroxy-, homopolymer;poly(malate);

标识符

InChIKey：

BJEPYKJPYRNKOW-UHFFFAOYSA-N

Inchi：

1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)

SMILES：

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

Butanedioic acid,2-hydroxy-, homopolymer(78644-42-5)物化性质

实验特性

沸点 : Decomposes at >225 °C and <235 °C (BP not determinable) /OECD Guideline 103 (Boiling point/boiling range)/
熔点 : 131.0 °C
密度 : 1.601 g/ cu cm at 20 °C

计算特性

精确分子量 : 134.021523
氢键供体数量 : 3
氢键受体数量 : 5
可旋转化学键数量 : 3
同位素质量 : 134.021523
重原子数量 : 9
复杂度 : 129
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） : _1.3
拓扑分子极性表面积 : 94.8

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6100-19-2(酒石酸二钾半水合物) 87-73-0(D-葡糖二酸) 526-95-4(葡萄糖酸) 97-67-6(L-苹果酸) 636-61-3(D( )-苹果酸) 80405-17-0(（2S）-2-（{[（1R，7aR）-1-（乙酰氧基）-2,3,5,7a-四氢-1H-吡咯嗪-7-基]甲氧基}羰基）-2-羟基-1,3-二甲基丁基（2E）-2-甲基丁-2-烯酸酯) 80405-18-1(（1S，2S）-2-羟基-2-（{[（1R，7aR）-1-羟基-2,3,5,7a-四氢-1H-吡咯嗪-7-基]甲氧基}羰基）-1,3-二甲基丁基（2E）-2-甲基丁-2-烯酸酯) 79781-00-3(compound 80-53)

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