CAS No.1424351-59-6 | 1,3-Benzenedicarboxylic acid, 5,5'-(9H-fluorene-2,7-diyl)bis-

Basic Information
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Names and Identifiers

1,3-Benzenedicarboxylic acid, 5,5'-(9H-fluorene-2,7-diyl)bis-
5,5'-(9H-Fluorene-2,7-diyl)diisophthalic acid
5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid
5-[7-(3,5-dicarboxyphenyl)-9H-fluoren-2-yl]benzene-1,3-dicarboxylic acid
1424351-59-6

1424351-59-6
G70379
G70379

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InChIKey：SHVNFNRBYJHTDF-UHFFFAOYSA-N
Inchi：1S/C29H18O8/c30-26(31)20-7-16(8-21(12-20)27(32)33)14-1-3-24-18(5-14)11-19-6-15(2-4-25(19)24)17-9-22(28(34)35)13-23(10-17)29(36)37/h1-10,12-13H,11H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)
SMILES：OC(C1=CC(C(O)=O)=CC(=C1)C1C=CC2C3=C(C=C(C=C3)C3C=C(C=C(C(O)=O)C=3)C(=O)O)CC=2C=1)=O

Chemical and Physical Properties

Computed Properties

精确分子量: 494.10016753g/mol
精确分子量: 494.10016753g/mol
氢键供体数量: 4
氢键供体数量: 4
氢键受体数量: 8
氢键受体数量: 8
可旋转化学键数量: 6
可旋转化学键数量: 6
同位素质量: 494.10016753g/mol
同位素质量: 494.10016753g/mol
重原子数量: 37
重原子数量: 37
复杂度: 800
复杂度: 800
同位素原子数量: 0
同位素原子数量: 0
确定原子立构中心数量: 0
确定原子立构中心数量: 0
不确定原子立构中心数量: 0
不确定原子立构中心数量: 0
确定化学键立构中心数量: 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
不确定化学键立构中心数量: 0
共价键单元数量: 1
共价键单元数量: 1
疏水参数计算参考值（XlogP）: 4.9
疏水参数计算参考值（XlogP）: 4.9
拓扑分子极性表面积: 149Å²
拓扑分子极性表面积: 149Å²

Related Literature

1. A microporous metal–organic framework of a rare sty topology for high CH4 storage at room temperature Xing Duan,Jiancan Yu,Jianfeng Cai,Yabing He,Chuande Wu,Wei Zhou,Taner Yildirim,Zhangjing Zhang,Shengchang Xiang,Michael O'Keeffe,Banglin Chen,Guodong Qian Chem. Commun. 2013 49 2043
2. Multifunctional metal–organic frameworks constructed from meta-benzenedicarboxylate units Yabing He,Bin Li,Michael O'Keeffe,Banglin Chen Chem. Soc. Rev. 2014 43 5618

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Brand:chemsoon		Supplier:上海楷树化学科技有限公司
	No.	Purity	Stock	Specification	Price	update time	operate
	ML3804407-1g	95%		1g	¥3000	08 Nov. 2023

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Product Name：1,3-Benzenedicarboxylic acid, 5,5'-(9H-fluorene-2,7-diyl)bis-

Computed Properties