| CAS Number | 40995-41-3 |
| Catalog Number | AG01AN24 |
| Chemical Name | Ethyl 5-Formyl-1-Methyl-1H-Pyrazole-4-Carboxylate |
| IUPAC Name | ethyl 5-formyl-1-methylpyrazole-4-carboxylate |
| InChI | InChI=1S/C8H10N2O3/c1-3-13-8(12)6-4-9-10(2)7(6)5-11/h4-5H,3H2,1-2H3 |
| InChI Key | NITOHXVZPBFYTJ-UHFFFAOYSA-N |
| MDL Number | MFCD24678503 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | O=C(C1=C(C=O)N(C)N=C1)OCC |
| Synonyms | ethyl 5-formyl-1-methyl-1H-pyrazole-4-carboxylate,
40995-41-3,
SCHEMBL14973340,
ZINC75844301,
AKOS023096076,
|
| 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