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2'-Amino-1,1':4,1''-terphenyl-4,4''-dicarboxylic acid

Catalog Number
ACM1312703288-2
CAS Number
1312703-28-8
Product Name
2'-Amino-1,1':4,1''-terphenyl-4,4''-dicarboxylic acid
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
H2TPDC-NH2; Amino-TPDC; H2ATCD; [1,1':4',1''-Terphenyl]-4,4''-dicarboxylic acid, 2'-amino-
IUPAC Name
4-[3-amino-4-(4-carboxyphenyl)phenyl]benzoic acid
Molecular Weight
333.34
Molecular Formula
C20H15NO4
InChI
InChI=1S/C20H15NO4/c21-18-11-16(12-1-5-14(6-2-12)19(22)23)9-10-17(18)13-3-7-15(8-4-13)20(24)25/h1-11H,21H2,(H,22,23)(H,24,25)
InChI Key
IONBHNFWEFNUEE-UHFFFAOYSA-N
Melting Point
349 °C
Purity
98%
Appearance
Yellow solid
Complexity
478
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
333.10010796g/mol
Formal Charge
0
Heavy Atom Count
25
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Length
5-30 um
Monoisotopic Mass
333.10010796g/mol
Rotatable Bond Count
4
SSA
>380m2/g
Topological Polar Surface Area
101Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
3.5
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