38103-05-8 (1,2-苯二甲酸，4,4'-[（1-甲基亚乙基）双（4,1-亚苯氧基）]双-,1,2-Benzenedicarboxylicacid, 4,4'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-)

快速询单

结构式：

1,2-苯二甲酸，4,4'-[（1-甲基亚乙基）双（4,1-亚苯氧基）]双-MOL文件

CAS号：

38103-05-8

中文名称：

1,2-苯二甲酸，4,4'-[（1-甲基亚乙基）双（4,1-亚苯氧基）]双-

英文名称：

1,2-Benzenedicarboxylicacid, 4,4'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-

分子式：

C₃₁H₂₄O₁₀

分子量：

556.516269683838

1,2-苯二甲酸，4,4'-[（1-甲基亚乙基）双（4,1-亚苯氧基）]双-(38103-05-8)名称与标识符

名称

英文别名：

1,2-Benzenedicarboxylicacid, 4,4'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-;4-[4-[2-[4-(3,4-dicarboxyphenoxy)phenyl]propan-2-yl]phenoxy]phthalic acid;1,2-Benzenedicarboxylic acid, 4,4'-((1-methylethylidene)bis(4,1-phenyleneoxy))bis-;4,4'-((1-Methylethylidene)bis(1,4-phenyleneoxy))bisphthalic acid;4,4'-[propane-2,2-diylbis(benzene-4,1-diyloxy)]dibenzene-1,2-dicarboxylic acid;4,4'-[2,2-Propanediylbis(4,1-phenyleneoxy)]diphthalic acid;1,2-Benzenedicarboxylic acid, 4,4'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-;EINECS 253-780-1;38103-05-8;CDS1_000153;DTXSID1068065;Oprea1_087724;4,4'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diphthalic acid;SCHEMBL260857;Maybridge1_002441;NS00030332;Oprea1_198225;HMS548G21;AKOS000733051;DivK1c_001193;CBDivE_003645;NCGC00341654-01;4,4'-[(1-methylethylidene)bis(1,4-phenyleneoxy)]bisphthalic acid;AB01333857-02;GLXC-25612;2,2-bis[4-(3,4-dicarboxyphenoxy)phenyl]propane;Lockdown;

标识符

InChIKey：

KJLPSBMDOIVXSN-UHFFFAOYSA-N

Inchi：

1S/C31H24O10/c1-31(2,17-3-7-19(8-4-17)40-21-11-13-23(27(32)33)25(15-21)29(36)37)18-5-9-20(10-6-18)41-22-12-14-24(28(34)35)26(16-22)30(38)39/h3-16H,1-2H3,(H,32,33)(H,34,35)(H,36,37)(H,38,39)

SMILES：

O(C1C=CC(C(=O)O)=C(C(=O)O)C=1)C1C=CC(=CC=1)C(C)(C)C1C=CC(=CC=1)OC1C=CC(C(=O)O)=C(C(=O)O)C=1

1,2-苯二甲酸，4,4'-[（1-甲基亚乙基）双（4,1-亚苯氧基）]双-(38103-05-8)物化性质

实验特性

PSA : 167.66
折射率 : 1.657
沸点 : 768.2°C at 760 mmHg
闪点 : 252.1°C
密度 : 1.412

计算特性

精确分子量 : 556.13692
氢键供体数量 : 4
氢键受体数量 : 10
可旋转化学键数量 : 10
同位素质量 : 556.137
重原子数量 : 41
复杂度 : 873
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） : 5.9
拓扑分子极性表面积 : 168Å²

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问答

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