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4,4',4'',4'''-methanetetrayltetrabenzoic acid

Catalog Number
ACM160248282-1
CAS Number
160248-28-2
Product Name
4,4',4'',4'''-methanetetrayltetrabenzoic acid
Category
Carboxylic acid MOF ligand-polycarboxylic acid MOFs ligand
IUPAC Name
4-[tris(4-carboxyphenyl)methyl]benzoic acid
Molecular Weight
496.5g/mol
Molecular Formula
C29H20O8
InChI
InChI=1S/C29H20O8/c30-25(31)17-1-9-21(10-2-17)29(22-11-3-18(4-12-22)26(32)33,23-13-5-19(6-14-23)27(34)35)24-15-7-20(8-16-24)28(36)37/h1-16H,(H,30,31)(H,32,33)(H,34,35)(H,36,37)
InChI Key
VSFXBCHNPQPWBX-UHFFFAOYSA-N
Complexity
695
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
496.11581759g/mol
Formal Charge
0
Heavy Atom Count
37
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
4
Isotope Atom Count
0
Monoisotopic Mass
496.11581759g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
149Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
5.1
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