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[1,1':3',1''-Terphenyl]-3,3'',5,5''-tetracarboxylic acid

Catalog Number
ACM1433189275-1
CAS Number
1433189-27-5
Product Name
[1,1':3',1''-Terphenyl]-3,3'',5,5''-tetracarboxylic acid
Category
Carboxylic acid MOF ligand-tetracarboxylic acid MOF ligand
Synonyms
H4TPTA
IUPAC Name
5-[3-(3,5-dicarboxyphenyl)phenyl]benzene-1,3-dicarboxylic acid
Molecular Weight
406.34
Molecular Formula
C22H14O8
InChI
InChI=1S/C22H14O8/c23-19(24)15-5-13(6-16(9-15)20(25)26)11-2-1-3-12(4-11)14-7-17(21(27)28)10-18(8-14)22(29)30/h1-10H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChI Key
TZOSCSXHFPKRBH-UHFFFAOYSA-N
Purity
95%
Appearance
White solid
Complexity
589
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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