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1,3-Di(4-carboxyphenyl)benzene

Catalog Number
ACM13215720
Product Name
1,3-Di(4-carboxyphenyl)benzene
Structure
CAS
13215-72-0
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
4-[3-(4-Carboxyphenyl)phenyl]benzoic acid
IUPAC Name
4-[3-(4-carboxyphenyl)phenyl]benzoic acid
Molecular Weight
318.32
Molecular Formula
C20H14O4
InChI
InChI=1S/C20H14O4/c21-19(22)15-8-4-13(5-9-15)17-2-1-3-18(12-17)14-6-10-16(11-7-14)20(23)24/h1-12H,(H,21,22)(H,23,24)
InChI Key
KFHMRRYUOBRPAA-UHFFFAOYSA-N
Purity
97%
Complexity
405
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
318.08920892g/mol
Formal Charge
0
Heavy Atom Count
24
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
318.08920892g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
74.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
4.2
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