| CAS Number | 1249548-97-7 |
| Catalog Number | AG01AUL2 |
| Chemical Name | 2-Methyl-3-(1-methyl-1H-pyrazol-4-yl)propanoic acid |
| IUPAC Name | 2-methyl-3-(1-methylpyrazol-4-yl)propanoic acid |
| InChI | InChI=1S/C8H12N2O2/c1-6(8(11)12)3-7-4-9-10(2)5-7/h4-6H,3H2,1-2H3,(H,11,12) |
| InChI Key | VRENFGFZLQYHLS-UHFFFAOYSA-N |
| MDL Number | MFCD16685728 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | CC(C(O)=O)CC1=CN(C)N=C1 |
| Synonyms | 2-methyl-3-(1-methyl-1H-pyrazol-4-yl)propanoic acid,
1249548-97-7,
AKOS011405986,
Z959330822,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.196g/mol |
| Monoisotopic Mass | 168.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number