| CAS Number | 1557884-85-1 |
| Catalog Number | AG01BK6G |
| Chemical Name | 1-(1-cyclobutyl-1H-pyrazol-4-yl)ethan-1-one |
| IUPAC Name | 1-(1-cyclobutylpyrazol-4-yl)ethanone |
| InChI | InChI=1S/C9H12N2O/c1-7(12)8-5-10-11(6-8)9-3-2-4-9/h5-6,9H,2-4H2,1H3 |
| InChI Key | TVLZGXJPZSHDAP-UHFFFAOYSA-N |
| MDL Number | MFCD28625503 |
| Molecular Formula | C9H12N2O |
| Molecular Weight | 164.2044 |
| SMILES | CC(C1=CN(C2CCC2)N=C1)=O |
| Synonyms | 1-(1-cyclobutyl-1H-pyrazol-4-yl)ethan-1-one,
1557884-85-1,
SCHEMBL18397005,
AKOS023622845,
ZINC107328161,
F2147-7529,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.208g/mol |
| Monoisotopic Mass | 164.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number