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Home Carboxys 5'-(4-Carboxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid

5'-(4-Carboxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid

CAS No.:
50446-44-1
Catalog Number:
AG003B03
Molecular Formula:
C27H18O6
Molecular Weight:
438.4282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95+%
1 week
United States
$30
- +
5g
>98.0%(HPLC)
1 week
United States
$542
- +
Product Description
Catalog Number:
AG003B03
Chemical Name:
5'-(4-Carboxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid
CAS Number:
50446-44-1
Molecular Formula:
C27H18O6
Molecular Weight:
438.4282
MDL Number:
MFCD10000888
IUPAC Name:
4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
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
SMILES:
OC(=O)c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O
Properties
Complexity:
588  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.11g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
438.435g/mol
Monoisotopic Mass:
438.11g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Literature
Title Journal
Functional group effects on metal-organic framework topology. Chemical communications (Cambridge, England) 20120928
Catenation control in the two-dimensional coordination polymers based on tritopic carboxylate linkers and azamacrocyclic nickel(II) complexes. Dalton transactions (Cambridge, England : 2003) 20120414
Highly dispersed palladium(II) in a defective metal-organic framework: application to C-H activation and functionalization. Journal of the American Chemical Society 20111221
A family of chiral metal-organic frameworks. Chemistry (Weinheim an der Bergstrasse, Germany) 20110211
Tetra-n-propyl-ammonium chloride monohydrate. Acta crystallographica. Section E, Structure reports online 20090401
Accessing postsynthetic modification in a series of metal-organic frameworks and the influence of framework topology on reactivity. Inorganic chemistry 20090105
Interwoven metal-organic framework on a periodic minimal surface with extra-large pores. Science (New York, N.Y.) 20010209
Properties