| CAS Number | 2095410-56-1 |
| Catalog Number | AG01E8NG |
| Chemical Name | Methyl 4-Methyl-1H-pyrazole-3-carboxylate Hydrochloride |
| IUPAC Name | methyl 4-methyl-1H-pyrazole-5-carboxylate;hydrochloride |
| InChI | InChI=1S/C6H8N2O2.ClH/c1-4-3-7-8-5(4)6(9)10-2;/h3H,1-2H3,(H,7,8);1H |
| InChI Key | VHEMEWSBILCYNX-UHFFFAOYSA-N |
| MDL Number | MFCD30730451 |
| Molecular Formula | C6H9ClN2O2 |
| Molecular Weight | 176.6009 |
| SMILES | Cl.COC(C1C(C)=CNN=1)=O |
| Synonyms | Methyl 4-methyl-1H-pyrazole-3-carboxylate hydrochloride,
2095410-56-1,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.6g/mol |
| Monoisotopic Mass | 176.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number