| CAS Number | 1365939-28-1 |
| Catalog Number | AG01CAAI |
| Chemical Name | 5-Methoxy-1-methyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-methoxy-1-methylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C6H8N2O2/c1-8-6(10-2)5(4-9)3-7-8/h3-4H,1-2H3 |
| InChI Key | IWNNQGNSNBDJHT-UHFFFAOYSA-N |
| MDL Number | MFCD21601621 |
| Molecular Formula | C6H8N2O2 |
| Molecular Weight | 140.1399 |
| SMILES | COC1=C(C=O)C=NN1C |
| Synonyms | 5-methoxy-1-methyl-1H-pyrazole-4-carbaldehyde,
1365939-28-1,
ZINC19052258,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.142g/mol |
| Monoisotopic Mass | 140.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number