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Pyrazine-2,5-dicarboxylic acid

CAS No.:
122-05-4
Catalog Number:
AG0035JN
Molecular Formula:
C6H4N2O4
Molecular Weight:
168.1070
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$94
- +
10g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$244
- +
100g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG0035JN
Chemical Name:
Pyrazine-2,5-dicarboxylic acid
CAS Number:
122-05-4
Molecular Formula:
C6H4N2O4
Molecular Weight:
168.1070
MDL Number:
MFCD27920502
IUPAC Name:
pyrazine-2,5-dicarboxylic acid
InChI:
InChI=1S/C6H4N2O4/c9-5(10)3-1-7-4(2-8-3)6(11)12/h1-2H,(H,9,10)(H,11,12)
InChI Key:
GMIOYJQLNFNGPR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc(nc1)C(=O)O
NSC Number:
80650
Properties
Complexity:
184  
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
catena-Poly[[(6-carb-oxy-pyrazine-2-carboxyl-ato)lithium]-μ-aqua]. Acta crystallographica. Section E, Structure reports online 20111201
Reductive approach to mixed valency (n = 1-) in the pyrazine ligand-bridged [(acac)2Ru(μ-L(2-))Ru(acac)2](n) (L(2-) = 2,5-pyrazine-dicarboxylate) through experiment and theory. Inorganic chemistry 20110801
catena-Poly[[(aqualithium)-μ-3-carboxypyrazine-2-carboxylato-κO,N:O,N] monohydrate]. Acta crystallographica. Section E, Structure reports online 20110801
Poly[di-μ-aqua-μ(4)-(pyrazine-2,5-dicarboxyl-ato)-dilithium(I)]. Acta crystallographica. Section E, Structure reports online 20110101
Diisopropyl pyrazine-2,5-dicarboxyl-ate. Acta crystallographica. Section E, Structure reports online 20100901
A three-dimensional pyrazine-2,5-dicarboxylate Cd(II) coordination framework with new (4,4,4)-connected three-nodal topology. Acta crystallographica. Section C, Crystal structure communications 20090101
N,N-Diisopropylidene-pyrazine-2,5-dicarbohydrazide dihydrate. Acta crystallographica. Section E, Structure reports online 20080401
Properties