| CAS Number | 1286695-09-7 |
| Catalog Number | AG018NAI(AGN-PC-0WBQGQ) |
| Chemical Name | methyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate |
| IUPAC Name | methyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate |
| InChI | InChI=1S/C9H14N2O2/c1-6-8(7(2)11-10-6)4-5-9(12)13-3/h4-5H2,1-3H3,(H,10,11) |
| InChI Key | JNDPYDSTBUHOHP-UHFFFAOYSA-N |
| MDL Number | MFCD09953983 |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.2197 |
| SMILES | COC(CCC1=C(C)NN=C1C)=O |
| Synonyms | methyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate,
1286695-09-7,
MFCD09953983,
ZINC42206148,
AKOS008954774,
MCULE-6800883701,
AS-31003,
Z53086445,
F2161-0107,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.223g/mol |
| Monoisotopic Mass | 182.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number