| CAS Number | 1248781-46-5 |
| Catalog Number | AG019YEC(AGN-PC-0WO0Y8) |
| Chemical Name | 2-(1-methyl-1H-pyrazol-4-yl)propanoic acid |
| IUPAC Name | 2-(1-methylpyrazol-4-yl)propanoic acid |
| InChI | InChI=1S/C7H10N2O2/c1-5(7(10)11)6-3-8-9(2)4-6/h3-5H,1-2H3,(H,10,11) |
| InChI Key | RAVRFCWUMKSDAN-UHFFFAOYSA-N |
| MDL Number | MFCD16109187 |
| Molecular Formula | C7H10N2O2 |
| Molecular Weight | 154.1665 |
| SMILES | CC(C1=CN(C)N=C1)C(O)=O |
| Synonyms | 2-(1-methyl-1H-pyrazol-4-yl)propanoic acid,
1248781-46-5,
AKOS011066355,
NE60582,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.169g/mol |
| Monoisotopic Mass | 154.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number