| CAS Number | 1093416-52-4 |
| Catalog Number | AG019ZG9 |
| Chemical Name | methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate |
| IUPAC Name | methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate |
| InChI | InChI=1S/C9H14N2O2/c1-5(9(12)13-4)8-6(2)10-11-7(8)3/h5H,1-4H3,(H,10,11) |
| InChI Key | GSFYZPOXGNXPND-UHFFFAOYSA-N |
| MDL Number | MFCD08700815 |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.2197 |
| SMILES | COC(C(C1=C(C)NN=C1C)C)=O |
| Synonyms | methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate,
1093416-52-4,
AKOS003673026,
AKOS017450785,
MCULE-4289506723,
NE24333,
|
| Complexity | 196 |
| 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 | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number