| CAS Number | 1093430-18-2 |
| Catalog Number | AG019PQV(AGN-PC-0WOCYI) |
| Chemical Name | 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid |
| IUPAC Name | 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid |
| InChI | InChI=1S/C9H14N2O2/c1-5(9(12)13)4-8-6(2)10-11-7(8)3/h5H,4H2,1-3H3,(H,10,11)(H,12,13) |
| InChI Key | ZJCNNCJYWFIMQY-UHFFFAOYSA-N |
| MDL Number | MFCD08700961 |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.2197 |
| SMILES | CC(C(O)=O)CC1=C(C)NN=C1C |
| Synonyms | 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid,
1093430-18-2,
AKOS003673627,
AKOS017504298,
MCULE-2112346186,
NE23851,
EN300-86028,
Z1259162070,
|
| 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 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number