| CAS Number | 1170858-25-9 |
| Catalog Number | AG019LHA |
| Chemical Name | 5-Ethyl-1-(6-hydroxypyridazin-3-yl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C10H10N4O3/c1-2-7-6(10(16)17)5-11-14(7)8-3-4-9(15)13-12-8/h3-5H,2H2,1H3,(H,13,15)(H,16,17) |
| InChI Key | SCOWKZOMZJIRSN-UHFFFAOYSA-N |
| MDL Number | MFCD09971437 |
| Molecular Formula | C10H10N4O3 |
| Molecular Weight | 234.2114 |
| SMILES | CCC1N(C2=NN=C(O)C=C2)N=CC=1C(O)=O |
| Synonyms | 5-ethyl-1-(6-hydroxypyridazin-3-yl)-1H-pyrazole-4-carboxylic acid,
1170858-25-9,
AC1Q2SUR,
CTK6D0798,
ZINC20282110,
AKOS034184827,
MCULE-7606224984,
NE60892,
EN300-31257,
Z324553148,
5-ethyl-1-(6-oxo-1,6-dihydropyridazin-3-yl)-1H-pyrazole-4-carboxylic acid,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.215g/mol |
| Monoisotopic Mass | 234.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number