| CAS Number | 940-07-8 |
| Catalog Number | AG003606(AGN-PC-00CFM3) |
| Chemical Name | Pyrazine-2,6-dicarboxylic acid |
| 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 |
| MDL Number | MFCD08694102 |
| Molecular Formula | C6H4N2O4 |
| Molecular Weight | 168.1070 |
| SMILES | N1=C(C=NC=C1C(=O)O)C(=O)O |
| Synonyms | Pyrazine-2,6-dicarboxylic Acid,
940-07-8,
2,6-Pyrazinedicarboxylic acid,
AK126265,
SCHEMBL69399,
DTXSID90469283,
CP-052,
FCH862682,
MFCD08694102,
ZINC13513744,
AKOS000279993,
CS-W022938,
KS-0000008I,
AJ-64003,
TS-00144,
AX8221131,
ST24049052,
CID11601391,
|
| 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 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number