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5,5'-(Pyridine-3,5-diyl)diisophthalic acid

Catalog Number
ACM1433029607-2
CAS Number
1433029-60-7
Product Name
5,5'-(Pyridine-3,5-diyl)diisophthalic acid
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-ternary mixed ligand
Synonyms
5,5'-(3,5-Pyridinediyl)bisisophthalic acid
IUPAC Name
5-[5-(3,5-dicarboxyphenyl)pyridin-3-yl]benzene-1,3-dicarboxylic acid
Molecular Weight
407.33
Molecular Formula
C21H13NO8
InChI
InChI=1S/C21H13NO8/c23-18(24)12-1-10(2-13(5-12)19(25)26)16-7-17(9-22-8-16)11-3-14(20(27)28)6-15(4-11)21(29)30/h1-9H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChI Key
WDFYUCKWERMMKR-UHFFFAOYSA-N
Purity
95%
Complexity
595
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
407.06411637g/mol
Formal Charge
0
Heavy Atom Count
30
Hydrogen Bond Acceptor Count
9
Hydrogen Bond Donor Count
4
Isotope Atom Count
0
Monoisotopic Mass
407.06411637g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
162Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2.2
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