| CAS Number | 129116-97-8 |
| Catalog Number | AG000YVI(AGN-PC-0WBQ1G) |
| Chemical Name | Pyridazine-3,4-dicarboxylic acid |
| IUPAC Name | pyridazine-3,4-dicarboxylic acid |
| InChI | InChI=1S/C6H4N2O4/c9-5(10)3-1-2-7-8-4(3)6(11)12/h1-2H,(H,9,10)(H,11,12) |
| InChI Key | RDQWJNPUOHXYCV-UHFFFAOYSA-N |
| MDL Number | MFCD18377803 |
| Molecular Formula | C6H4N2O4 |
| Molecular Weight | 168.1070 |
| SMILES | O=C(C1=NN=CC=C1C(O)=O)O |
| Synonyms | pyridazine-3,4-dicarboxylic acid,
129116-97-8,
3,4-PYRIDAZINEDICARBOXYLIC ACID,
diazine dicarboxylic acid,
SCHEMBL5769273,
CTK4B6168,
DTXSID00562037,
ZINC34327905,
AKOS026699862,
NE57027,
F8887-4666,
3,4-Pyridazinedicarboxylic acid (9CI),
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| Complexity | 206 |
| 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 | -0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number