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2,6-Pyrazinedicarboxylic acid

Catalog Number
ACM940078-1
CAS Number
940-07-8
Product Name
2,6-Pyrazinedicarboxylic acid
Structure
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
IUPAC Name
pyrazine-2,6-dicarboxylic acid
Molecular Weight
168.11g/mol
Molecular Formula
C6H4N2O4
InChI
InChI=1S/C6H4N2O4/c9-5(10)3-1-7-2-4(8-3)6(11)12/h1-2H,(H,9,10)(H,11,12)
InChI Key
CGGUNVYOABLSQD-UHFFFAOYSA-N
Complexity
186
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
168.01710661g/mol
Formal Charge
0
Heavy Atom Count
12
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
168.01710661g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
100Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-0.5
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