| CAS Number | 1172234-67-1 |
| Catalog Number | AG01C4GK |
| Chemical Name | 3-(3-methyl-1H-pyrazol-1-yl)butanoic acid |
| IUPAC Name | 3-(3-methylpyrazol-1-yl)butanoic acid |
| InChI | InChI=1S/C8H12N2O2/c1-6-3-4-10(9-6)7(2)5-8(11)12/h3-4,7H,5H2,1-2H3,(H,11,12) |
| InChI Key | JGMFURPCLAFNGW-UHFFFAOYSA-N |
| MDL Number | MFCD14281264 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | CC(N1N=C(C)C=C1)CC(O)=O |
| Synonyms | 3-(3-methyl-1H-pyrazol-1-yl)butanoic acid,
1172234-67-1,
MFCD14281264,
AKOS004911748,
Z2492774577,
|
| 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 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number