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2,2''-Dimethyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid

Catalog Number
ACM1807547392-1
CAS Number
1807547-39-2
Product Name
2,2''-Dimethyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid
Category
Carboxylic acid MOF ligand-tricarboxylic acid MOF ligand
Synonyms
2,4,6-Tri(1H-imidazol-1-yl)-1,3,5-triazine; timtz
IUPAC Name
4-[4-(4-carboxy-2-methylphenyl)phenyl]-3-methylbenzoic acid
Molecular Weight
346.38
Molecular Formula
C22H18O4
InChI
InChI=1S/C22H18O4/c1-13-11-17(21(23)24)7-9-19(13)15-3-5-16(6-4-15)20-10-8-18(22(25)26)12-14(20)2/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChI Key
FQIBTEMKVHZJKB-UHFFFAOYSA-N
Purity
95%
Appearance
White powder
Complexity
462
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
346.12050905g/mol
Formal Charge
0
Heavy Atom Count
26
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
346.12050905g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
74.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
5
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