| CAS Number | 1216162-03-6 |
| Catalog Number | AG01AFSX(AGN-PC-0WO3D9) |
| Chemical Name | ethyl 3-(1-ethyl-1H-pyrazol-4-yl)-3-oxopropanoate |
| IUPAC Name | ethyl 3-(1-ethylpyrazol-4-yl)-3-oxopropanoate |
| InChI | InChI=1S/C10H14N2O3/c1-3-12-7-8(6-11-12)9(13)5-10(14)15-4-2/h6-7H,3-5H2,1-2H3 |
| InChI Key | HQNYGSCHJVXYEK-UHFFFAOYSA-N |
| MDL Number | MFCD13188082 |
| Molecular Formula | C10H14N2O3 |
| Molecular Weight | 210.2298 |
| SMILES | CCOC(CC(C1=CN(CC)N=C1)=O)=O |
| Synonyms | ethyl 3-(1-ethyl-1H-pyrazol-4-yl)-3-oxopropanoate,
1216162-03-6,
ZINC40543242,
AKOS011064541,
NE29711,
|
| Complexity | 243 |
| 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 | 6 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number