| CAS Number | 1503601-15-7 |
| Catalog Number | AG01ALU0 |
| Chemical Name | 3-Hydroxy-1-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 2-methyl-5-oxo-1H-pyrazole-4-carbaldehyde |
| InChI | InChI=1S/C5H6N2O2/c1-7-2-4(3-8)5(9)6-7/h2-3H,1H3,(H,6,9) |
| InChI Key | OLXKOHGCSFTLSM-UHFFFAOYSA-N |
| MDL Number | MFCD28968258 |
| Molecular Formula | C5H6N2O2 |
| Molecular Weight | 126.1133 |
| SMILES | CN1N=C(O)C(C=O)=C1 |
| Synonyms | 3-hydroxy-1-methyl-1H-pyrazole-4-carbaldehyde,
1503601-15-7,
ZINC76571300,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.115g/mol |
| Monoisotopic Mass | 126.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number