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[1,1':4',1''-Terphenyl]-2,2'',4,4''-tetracarboxylic acid

Catalog Number
ACM1580004085-1
CAS Number
1580004-08-5
Product Name
[1,1':4',1''-Terphenyl]-2,2'',4,4''-tetracarboxylic acid
Category
Carboxylic acid MOF ligand-tetracarboxylic acid MOF ligand
Synonyms
4-[4-(2,4-Dicarboxyphenyl)phenyl]benzene-1,3-dicarboxylic acid
IUPAC Name
4-[4-(2,4-dicarboxyphenyl)phenyl]benzene-1,3-dicarboxylic acid
Molecular Weight
406.34
Molecular Formula
C22H14O8
InChI
InChI=1S/C22H14O8/c23-19(24)13-5-7-15(17(9-13)21(27)28)11-1-2-12(4-3-11)16-8-6-14(20(25)26)10-18(16)22(29)30/h1-10H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChI Key
XUZLDIYRUFBGQU-UHFFFAOYSA-N
Purity
95%
Complexity
623
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
406.06886740g/mol
Formal Charge
0
Heavy Atom Count
30
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
4
Isotope Atom Count
0
Monoisotopic Mass
406.06886740g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
149Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
3.3
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