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tetrakis(4- carboxyphenoxymethyl) methane

Catalog Number
ACM245551353-1
CAS Number
245551-35-3
Product Name
tetrakis(4- carboxyphenoxymethyl) methane
Category
Carboxylic acid MOF ligand-polycarboxylic acid MOFs ligand
IUPAC Name
4-[3-(4-carboxyphenoxy)-2,2-bis[(4-carboxyphenoxy)methyl]propoxy]benzoic acid
Molecular Weight
616.6g/mol
Molecular Formula
C33H28O12
InChI
InChI=1S/C33H28O12/c34-29(35)21-1-9-25(10-2-21)42-17-33(18-43-26-11-3-22(4-12-26)30(36)37,19-44-27-13-5-23(6-14-27)31(38)39)20-45-28-15-7-24(8-16-28)32(40)41/h1-16H,17-20H2,(H,34,35)(H,36,37)(H,38,39)(H,40,41)
InChI Key
FQBOIKZICWAJBY-UHFFFAOYSA-N
Complexity
811
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
616.15807632g/mol
Formal Charge
0
Heavy Atom Count
45
Hydrogen Bond Acceptor Count
12
Hydrogen Bond Donor Count
4
Isotope Atom Count
0
Monoisotopic Mass
616.15807632g/mol
Rotatable Bond Count
16
Stability
tetrakis(4-carboxyphenoxymethyl)methane
Topological Polar Surface Area
186Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
5.1
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