| CAS Number | 137614-13-2 |
| Catalog Number | AG01C35H |
| Chemical Name | 3-cyclobutyl-1-methyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 3-cyclobutyl-1-methylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C9H12N2O2/c1-11-5-7(9(12)13)8(10-11)6-3-2-4-6/h5-6H,2-4H2,1H3,(H,12,13) |
| InChI Key | NXTZUDXEWDJFJK-UHFFFAOYSA-N |
| MDL Number | MFCD22398429 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | CN1N=C(C2CCC2)C(C(O)=O)=C1 |
| Synonyms | 3-cyclobutyl-1-methyl-1H-pyrazole-4-carboxylic acid,
137614-13-2,
AKOS024059507,
ZINC212859324,
Z2327226168,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number