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

Exact Mass: 494.10016753g/mol
Exact Mass: 494.10016753g/mol
Hydrogen Bond Donor Count: 4
Hydrogen Bond Donor Count: 4
Hydrogen Bond Acceptor Count: 8
Hydrogen Bond Acceptor Count: 8
Rotatable Bond Count: 6
Rotatable Bond Count: 6
Monoisotopic Mass: 494.10016753g/mol
Monoisotopic Mass: 494.10016753g/mol
Heavy Atom Count: 37
Heavy Atom Count: 37
Complexity: 800
Complexity: 800
Isotope Atom Count: 0
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Covalently-Bonded Unit Count: 1
XLogP3: 4.9
XLogP3: 4.9
Topological Polar Surface Area: 149Å²
Topological Polar Surface Area: 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