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2',5'-dimethoxy-[1,1':4',1''-Terphenyl]-4,4''-dicarboxylic acid

Catalog Number
ACM1392416191
Product Name
2',5'-dimethoxy-[1,1':4',1''-Terphenyl]-4,4''-dicarboxylic acid
CAS
1392416-19-1
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
IUPAC Name
4-[4-(4-carboxyphenyl)-2,5-dimethoxyphenyl]benzoic acid
Molecular Weight
190.15884
Molecular Formula
C22H18O6
InChI
InChI=1S/C22H18O6/c1-27-19-11-18(14-5-9-16(10-6-14)22(25)26)20(28-2)12-17(19)13-3-7-15(8-4-13)21(23)24/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChI Key
GUIDAAAVTIRHLQ-UHFFFAOYSA-N
Complexity
485
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
378.11033829g/mol
Formal Charge
0
Heavy Atom Count
28
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
378.11033829g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
93.1Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
4.2
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