| CAS Number | 956191-70-1 |
| Catalog Number | AG019KNU |
| Chemical Name | 5-methyl-1-(6-oxo-1,6-dihydropyridazin-3-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C9H8N4O3/c1-5-6(9(15)16)4-10-13(5)7-2-3-8(14)12-11-7/h2-4H,1H3,(H,12,14)(H,15,16) |
| InChI Key | BEWZIULCPLUCNW-UHFFFAOYSA-N |
| MDL Number | MFCD09383936 |
| Molecular Formula | C9H8N4O3 |
| Molecular Weight | 220.1848 |
| SMILES | CC1N(C2=NNC(=O)C=C2)N=CC=1C(O)=O |
| Synonyms | 5-methyl-1-(6-oxo-1,6-dihydropyridazin-3-yl)-1H-pyrazole-4-carboxylic acid,
956191-70-1,
AC1Q2EUW,
CTK7J0638,
ZINC12505604,
AKOS000117962,
MCULE-7029367212,
NE17644,
EN300-27669,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.188g/mol |
| Monoisotopic Mass | 220.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 96.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number