| CAS Number | 1423025-74-4 |
| Catalog Number | AG01A2KJ(AGN-PC-0WO0RJ) |
| Chemical Name | 3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoic acid |
| IUPAC Name | 3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoic acid |
| InChI | InChI=1S/C9H14N2O2/c1-5(4-8(12)13)9-6(2)10-11-7(9)3/h5H,4H2,1-3H3,(H,10,11)(H,12,13) |
| InChI Key | LIQQUKTZYMHVQM-UHFFFAOYSA-N |
| MDL Number | MFCD22578628 |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.2197 |
| SMILES | CC(C1=C(C)NN=C1C)CC(O)=O |
| Synonyms | 3-(3,5-dimethyl-1H-pyrazol-4-yl)butanoic acid,
1423025-74-4,
AKOS026726308,
MCULE-1109381009,
NE26370,
Z1511495090,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.223g/mol |
| Monoisotopic Mass | 182.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number