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940-07-8 | Pyrazine-2,6-dicarboxylic acid
CAS No: 940-07-8 Catalog No: AG003606 MDL No:MFCD08694102
Product Description
Catalog Number:
AG003606
Chemical Name:
Pyrazine-2,6-dicarboxylic acid
CAS Number:
940-07-8
Molecular Formula:
C6H4N2O4
Molecular Weight:
168.1070
MDL Number:
MFCD08694102
IUPAC Name:
pyrazine-2,6-dicarboxylic acid
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
SMILES:
OC(=O)c1cncc(n1)C(=O)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.108g/mol
Monoisotopic Mass:
168.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| A comparison of sensitized Ln(III) emission using pyridine- and pyrazine-2,6-dicarboxylates. | Dalton transactions (Cambridge, England : 2003) 20120507 |
| catena-Poly[[(6-carb-oxy-pyrazine-2-carboxyl-ato)lithium]-μ-aqua]. | Acta crystallographica. Section E, Structure reports online 20111201 |
| Hexaaqua-magnesium(II) bis-(pyridinium-2,6-dicarboxyl-ate). | Acta crystallographica. Section E, Structure reports online 20101201 |
| Aqua-(2,2'-bipyrid-yl)(pyrazine-2,6-dicarboxyl-ato)nickel(II) 1.25-hydrate. | Acta crystallographica. Section E, Structure reports online 20081101 |
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