| CAS Number | 1268715-45-2 |
| Catalog Number | AG01A7SN |
| Chemical Name | ethyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate |
| IUPAC Name | ethyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate |
| InChI | InChI=1S/C10H16N2O2/c1-5-14-10(13)6(2)9-7(3)11-12-8(9)4/h6H,5H2,1-4H3,(H,11,12) |
| InChI Key | BIILYNFNLSDQIE-UHFFFAOYSA-N |
| MDL Number | MFCD14705806 |
| Molecular Formula | C10H16N2O2 |
| Molecular Weight | 196.2462 |
| SMILES | CCOC(C(C1=C(C)NN=C1C)C)=O |
| Synonyms | ethyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate,
1268715-45-2,
AC1Q320F,
CTK6F3897,
AKOS011164256,
MCULE-9993760228,
NE21621,
EN300-59682,
Z951402026,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.25g/mol |
| Monoisotopic Mass | 196.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number