| CAS Number | 2059933-79-6 |
| Catalog Number | AG01B6UP |
| Chemical Name | tert-Butyl 5-formyl-1-methyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | tert-butyl 5-formyl-1-methylpyrazole-3-carboxylate |
| InChI | InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)8-5-7(6-13)12(4)11-8/h5-6H,1-4H3 |
| InChI Key | UQNCSHUEVCIWPG-UHFFFAOYSA-N |
| MDL Number | MFCD30535609 |
| Molecular Formula | C10H14N2O3 |
| Molecular Weight | 210.2298 |
| SMILES | O=C(C1=NN(C)C(C=O)=C1)OC(C)(C)C |
| Synonyms | tert-butyl 5-formyl-1-methyl-1H-pyrazole-3-carboxylate,
2059933-79-6,
ZINC584879907,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.233g/mol |
| Monoisotopic Mass | 210.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number