| CAS Number | 1093416-51-3 |
| Catalog Number | AG01AGMV(AGN-PC-0WO3Q2) |
| Chemical Name | 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid |
| IUPAC Name | 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid |
| InChI | InChI=1S/C8H12N2O2/c1-4(8(11)12)7-5(2)9-10-6(7)3/h4H,1-3H3,(H,9,10)(H,11,12) |
| InChI Key | NZNHRSWYGFKKBQ-UHFFFAOYSA-N |
| MDL Number | MFCD08700814 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | CC(C1=C(C)NN=C1C)C(O)=O |
| Synonyms | 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid,
1093416-51-3,
AC1Q1LG5,
CTK7I4087,
AKOS003673025,
AKOS016909932,
MCULE-1254254374,
NE28762,
EN300-72285,
Z1171978806,
|
| Complexity | 184 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.196g/mol |
| Monoisotopic Mass | 168.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number