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13051-89-3 | 2,5-Pyrazinedicarboxylic acid, 2,5-dimethyl ester
CAS No: 13051-89-3 Catalog No: AG000UK1 MDL No:MFCD00464990
Product Description
Catalog Number:
AG000UK1
Chemical Name:
2,5-Pyrazinedicarboxylic acid, 2,5-dimethyl ester
CAS Number:
13051-89-3
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD00464990
IUPAC Name:
dimethyl pyrazine-2,5-dicarboxylate
InChI:
InChI=1S/C8H8N2O4/c1-13-7(11)5-3-10-6(4-9-5)8(12)14-2/h3-4H,1-2H3
InChI Key:
DQGTTXDDKDMEHB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(nc1)C(=O)OC
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Diisopropyl pyrazine-2,5-dicarboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20100901 |
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