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- 1424351-59-6
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
- 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: 149Ų
- Topological Polar Surface Area: 149Ų
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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