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2,4,6-tris(4-carboxyphenoxy)-1,3,5-triazine

Catalog Number
ACM118803831-1
Product Name
2,4,6-tris(4-carboxyphenoxy)-1,3,5-triazine
CAS
118803-83-1
Category
Carboxylic acid MOF ligand-tricarboxylic acid MOF ligand
IUPAC Name
4-[[4,6-bis(4-carboxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzoic acid
Molecular Weight
489.4g/mol
Molecular Formula
C24H15N3O9
InChI
InChI=1S/C24H15N3O9/c28-19(29)13-1-7-16(8-2-13)34-22-25-23(35-17-9-3-14(4-10-17)20(30)31)27-24(26-22)36-18-11-5-15(6-12-18)21(32)33/h1-12H,(H,28,29)(H,30,31)(H,32,33)
InChI Key
PVNSFMMAPGZJAU-UHFFFAOYSA-N
Appearance
Dark red-brown pwdr.
Complexity
648
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
489.08082906g/mol
Formal Charge
0
Heavy Atom Count
36
Hydrogen Bond Acceptor Count
12
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
489.08082906g/mol
Rotatable Bond Count
9
Topological Polar Surface Area
178Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
4.1
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