| CAS Number | 1594890-30-8 |
| Catalog Number | AG01ACTY |
| Chemical Name | Ethyl 4-formyl-1-methyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 4-formyl-1-methylpyrazole-3-carboxylate |
| InChI | InChI=1S/C8H10N2O3/c1-3-13-8(12)7-6(5-11)4-10(2)9-7/h4-5H,3H2,1-2H3 |
| InChI Key | OPBYCPSBPGSNCJ-UHFFFAOYSA-N |
| MDL Number | MFCD26936128 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | CCOC(=O)c1nn(cc1C=O)C |
| Synonyms | ethyl 4-formyl-1-methyl-1H-pyrazole-3-carboxylate,
1594890-30-8,
ZINC95883576,
AKOS030260843,
NE17231,
|
| Complexity | 208 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number