| CAS Number | 1556311-44-4 |
| Catalog Number | AG01BK6F |
| Chemical Name | 1-cyclobutyl-1H-pyrazole-5-carbaldehyde |
| IUPAC Name | 2-cyclobutylpyrazole-3-carbaldehyde |
| InChI | InChI=1S/C8H10N2O/c11-6-8-4-5-9-10(8)7-2-1-3-7/h4-7H,1-3H2 |
| InChI Key | XJDZPDFHCADPGN-UHFFFAOYSA-N |
| MDL Number | MFCD28624786 |
| Molecular Formula | C8H10N2O |
| Molecular Weight | 150.1778 |
| SMILES | O=CC1N(C2CCC2)N=CC=1 |
| Synonyms | 1-cyclobutyl-1H-pyrazole-5-carbaldehyde,
1556311-44-4,
ZINC107324933,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.181g/mol |
| Monoisotopic Mass | 150.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number