| CAS Number | 1269087-62-8 |
| Catalog Number | AG00J10D(AGN-PC-0WB69U) |
| Chemical Name | 3-(1,3,5-Trimethyl-1H-pyrazol-4-yl)propanoic acid hydrochloride |
| IUPAC Name | 3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C9H14N2O2.ClH/c1-6-8(4-5-9(12)13)7(2)11(3)10-6;/h4-5H2,1-3H3,(H,12,13);1H |
| InChI Key | AWHFHCCPTUJTMO-UHFFFAOYSA-N |
| MDL Number | MFCD13186056 |
| Molecular Formula | C9H15ClN2O2 |
| Molecular Weight | 218.6806 |
| SMILES | N1=C(C)C(=C(C)N1C)CCC(O)=O.Cl |
| Synonyms | 1269087-62-8,
3-(1,3,5-Trimethyl-1H-pyrazol-4-yl)propanoic acid hydrochloride,
ZX-CM002413,
MFCD13186056,
AKOS027426306,
MCULE-2736096558,
3-(1,3,5-Trimethyl-1H-pyrazol-4-yl)propanoic acid hydrochloride, AldrichCPR,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.681g/mol |
| Monoisotopic Mass | 218.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number