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9,10-Di(p-carboxyphenyl)anthracene

Catalog Number
ACM42824533-1
CAS Number
42824-53-3
Product Name
9,10-Di(p-carboxyphenyl)anthracene
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
4,4'-(9,10-Anthracenediyl)dibenzoic acid; H2ADBA; DCDPA;
IUPAC Name
4-[10-(4-carboxyphenyl)anthracen-9-yl]benzoic acid
Molecular Weight
418.44
Molecular Formula
C28H18O4
InChI
InChI=1S/C28H18O4/c29-27(30)19-13-9-17(10-14-19)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)18-11-15-20(16-12-18)28(31)32/h1-16H,(H,29,30)(H,31,32)
InChI Key
ZSLCDSMUKOZRPQ-UHFFFAOYSA-N
Purity
95%
Appearance
Off-white powder
Complexity
591
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
418.12050905g/mol
Formal Charge
0
Heavy Atom Count
32
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Length
0.5-2um
Monoisotopic Mass
418.12050905g/mol
Rotatable Bond Count
4
SSA
>60 m2/g
Topological Polar Surface Area
74.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
6.7
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