| CAS Number | 60178-98-5 |
| Catalog Number | AG00IANS(AGN-PC-0WBKH1) |
| Chemical Name | ethyl 5-hydroxy-4-methyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxylate |
| InChI | InChI=1S/C7H10N2O3/c1-3-12-7(11)5-4(2)6(10)9-8-5/h3H2,1-2H3,(H2,8,9,10) |
| InChI Key | UZYUEVONCXSOKT-UHFFFAOYSA-N |
| MDL Number | MFCD16547310 |
| Molecular Formula | C7H10N2O3 |
| Molecular Weight | 170.1659 |
| SMILES | CCOC(C1C(C)=C(O)NN=1)=O |
| Synonyms | 60178-98-5,
Ethyl 5-Hydroxy-4-methylpyrazole-3-carboxylate,
ETHYL 5-HYDROXY-4-METHYL-1H-PYRAZOLE-3-CARBOXYLATE,
SCHEMBL10862602,
DTXSID60514956,
ZINC45930156,
AKOS030231802,
NS-01385,
SY045466,
MFCD16547310 (95%),
Z2216711562,
Ethyl 4-methyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate,
60178-92-9,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.168g/mol |
| Monoisotopic Mass | 170.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number