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3,5-Di(4'-carboxylphenyl)benozoic acid

Catalog Number
ACM1263218514-1
CAS Number
1263218-51-4
Product Name
3,5-Di(4'-carboxylphenyl)benozoic acid
Category
Customizable MOF Linkers
Synonyms
[1,1':3',1''-terphenyl]-4,4'',5'-tricarboxylic acid
IUPAC Name
3,5-bis(4-carboxyphenyl)benzoic acid
Molecular Weight
362.33
Molecular Formula
C21H14O6
InChI
InChI=1S/C21H14O6/c22-19(23)14-5-1-12(2-6-14)16-9-17(11-18(10-16)21(26)27)13-3-7-15(8-4-13)20(24)25/h1-11H,(H,22,23)(H,24,25)(H,26,27)
InChI Key
NSCIYASAEQYMAT-UHFFFAOYSA-N
Purity
98%
Complexity
515
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
362.07903816g/mol
Formal Charge
0
Heavy Atom Count
27
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
362.07903816g/mol
Rotatable Bond Count
5
SSA
~300m2/g
Topological Polar Surface Area
112Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
3.8
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