| CAS Number | 1104243-87-9 |
| Catalog Number | AG00HBPU(AGN-PC-0WNLSR) |
| Chemical Name | ethyl 3-(1-methyl-1H-pyrazol-4-yl)-3-oxopropanoate |
| IUPAC Name | ethyl 3-(1-methylpyrazol-4-yl)-3-oxopropanoate |
| InChI | InChI=1S/C9H12N2O3/c1-3-14-9(13)4-8(12)7-5-10-11(2)6-7/h5-6H,3-4H2,1-2H3 |
| InChI Key | QPWLRODRTRANFI-UHFFFAOYSA-N |
| MDL Number | MFCD13188081 |
| Molecular Formula | C9H12N2O3 |
| Molecular Weight | 196.2032 |
| SMILES | CCOC(CC(C1=CN(C)N=C1)=O)=O |
| Synonyms | ETHYL 3-(1-METHYL-1H-PYRAZOL-4-YL)-3-OXOPROPANOATE,
1104243-87-9,
SCHEMBL20074226,
ALBB-021479,
MFCD13188081,
ZINC40543239,
AKOS011065128,
MCULE-3333685311,
DA-15558,
FT-0762014,
Z1741785928,
1H-pyrazole-4-propanoic acid, 1-methyl-beta-oxo-, ethyl ester,
3-(1-Methyl-1H-pyrazol-4-yl)-3-oxopropanoic acid ethyl ester,
T3245,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.206g/mol |
| Monoisotopic Mass | 196.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number