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1,3,5-Tri(4-carboxyphenyl)benzene

Catalog Number
ACM50446441
CAS Number
50446-44-1
Product Name
1,3,5-Tri(4-carboxyphenyl)benzene
Structure
Category
Carboxylic acid MOF ligand-tricarboxylic acid MOF ligand
Synonyms
4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
IUPAC Name
4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
Molecular Weight
438.42
Molecular Formula
C27H18O6
InChI
InChI=1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33)
InChI Key
SATWKVZGMWCXOJ-UHFFFAOYSA-N
Purity
98%
Complexity
588
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
438.11033829g/mol
Formal Charge
0
Heavy Atom Count
33
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
438.11033829g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
112Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
5.4
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