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Hexakis(4- carboxyphenyl) benzene

Catalog Number
ACM83536167
Product Name
Hexakis(4- carboxyphenyl) benzene
CAS
83536-16-7
Category
Carboxylic acid MOF ligand-polycarboxylic acid MOFs ligand
IUPAC Name
4-[2,3,4,5,6-pentakis(4-carboxyphenyl)phenyl]benzoic acid
Molecular Weight
798.7g/mol
Molecular Formula
C48H30O12
InChI
InChI=1S/C48H30O12/c49-43(50)31-13-1-25(2-14-31)37-38(26-3-15-32(16-4-26)44(51)52)40(28-7-19-34(20-8-28)46(55)56)42(30-11-23-36(24-12-30)48(59)60)41(29-9-21-35(22-10-29)47(57)58)39(37)27-5-17-33(18-6-27)45(53)54/h1-24H,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChI Key
LUIFAWBWDOLINT-UHFFFAOYSA-N
Complexity
1220
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
798.17372639g/mol
Formal Charge
0
Heavy Atom Count
60
Hydrogen Bond Acceptor Count
12
Hydrogen Bond Donor Count
6
Isotope Atom Count
0
Monoisotopic Mass
798.17372639g/mol
Rotatable Bond Count
12
SSA
700-800 m2/g
Topological Polar Surface Area
224Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
8.8
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