| CAS Number | 778594-18-6 |
| Catalog Number | AG01FN5N(AGN-PC-09AOK4) |
| Chemical Name | 6-oxo-1-(propan-2-yl)-1,6-dihydropyridazine-3-carboxylic acid |
| IUPAC Name | 6-oxo-1-propan-2-ylpyridazine-3-carboxylic acid |
| InChI | InChI=1S/C8H10N2O3/c1-5(2)10-7(11)4-3-6(9-10)8(12)13/h3-5H,1-2H3,(H,12,13) |
| InChI Key | SZRWSUNUWKCKBR-UHFFFAOYSA-N |
| MDL Number | MFCD14609244 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | C(C)(C)N1N=C(C=CC1=O)C(=O)O |
| Synonyms | 778594-18-6,
ZINC40926122,
AKOS010517035,
MCULE-2377965181,
F1967-1103,
1-isopropyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number