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3,5,4'-Biphenyltricarboxylic acid

Catalog Number
ACM677010207-3
CAS Number
677010-20-7
Product Name
3,5,4'-Biphenyltricarboxylic acid
Category
Carboxylic acid MOF ligand-tricarboxylic acid MOF ligand
IUPAC Name
5-(4-carboxyphenyl)benzene-1,3-dicarboxylic acid
Molecular Weight
286.24g/mol
Molecular Formula
C15H10O6
InChI
InChI=1S/C15H10O6/c16-13(17)9-3-1-8(2-4-9)10-5-11(14(18)19)7-12(6-10)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChI Key
LQEZHWGJSWHXPJ-UHFFFAOYSA-N
Complexity
402
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
286.04773803g/mol
Formal Charge
0
Heavy Atom Count
21
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
286.04773803g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
112Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2.1
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