| CAS Number | 1556315-61-7 |
| Catalog Number | AG01BJKT |
| Chemical Name | 1-Cyclobutyl-1H-Pyrazole-5-Carboxylic Acid |
| IUPAC Name | 2-cyclobutylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C8H10N2O2/c11-8(12)7-4-5-9-10(7)6-2-1-3-6/h4-6H,1-3H2,(H,11,12) |
| InChI Key | HJLBZKCWCUMXJV-UHFFFAOYSA-N |
| MDL Number | MFCD28625735 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | O=C(C1=CC=NN1C2CCC2)O |
| Synonyms | 1-cyclobutyl-1H-pyrazole-5-carboxylic acid,
1556315-61-7,
AKOS023623128,
ZINC107329381,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number