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Pyrazine-2,3-dicarboxylic acid monoamide

CAS No.:
67367-37-7
Catalog Number:
AG003U1U
Molecular Formula:
C6H5N3O3
Molecular Weight:
167.1222
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>97.0%(T)(HPLC)
1 week
United States
$210
- +
Product Description
Catalog Number:
AG003U1U
Chemical Name:
Pyrazine-2,3-dicarboxylic acid monoamide
CAS Number:
67367-37-7
Molecular Formula:
C6H5N3O3
Molecular Weight:
167.1222
MDL Number:
MFCD00191679
IUPAC Name:
3-carbamoylpyrazine-2-carboxylic acid
InChI:
InChI=1S/C6H5N3O3/c7-5(10)3-4(6(11)12)9-2-1-8-3/h1-2H,(H2,7,10)(H,11,12)
InChI Key:
VIBWYIDVHOAVJB-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccnc1C(=O)N
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.124g/mol
Monoisotopic Mass:
167.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Literature
Title Journal
The coordination polymer poly[(μ3-3-aminocarbonylpyrazine-2-carboxylato-κ3N1:O2:O2')silver(I)]. Acta crystallographica. Section C, Crystal structure communications 20110101
Properties