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[1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, 5'-methyl-

Catalog Number
ACM1582811979
Product Name
[1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, 5'-methyl-
CAS
1582811-97-9
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
IUPAC Name
4-[3-(4-carboxyphenyl)-5-methylphenyl]benzoic acid
Molecular Weight
332.3g/mol
Molecular Formula
C21H16O4
InChI
InChI=1S/C21H16O4/c1-13-10-18(14-2-6-16(7-3-14)20(22)23)12-19(11-13)15-4-8-17(9-5-15)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)
InChI Key
XTEFXDSIWNENNF-UHFFFAOYSA-N
Complexity
430
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
332.10485899g/mol
Formal Charge
0
Heavy Atom Count
25
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Length
1-3 um
Monoisotopic Mass
332.10485899g/mol
Rotatable Bond Count
4
SSA
>380 m2/g
Topological Polar Surface Area
74.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
4.6
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