| CAS Number | 1197859-35-0 |
| Catalog Number | AG019X0T(AGN-PC-0WO6TB) |
| Chemical Name | 1-(1-tert-butyl-3-methyl-1H-pyrazol-4-yl)ethan-1-one |
| IUPAC Name | 1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanone |
| InChI | InChI=1S/C10H16N2O/c1-7-9(8(2)13)6-12(11-7)10(3,4)5/h6H,1-5H3 |
| InChI Key | UKBSYRPUXFBPFQ-UHFFFAOYSA-N |
| MDL Number | MFCD13195931 |
| Molecular Formula | C10H16N2O |
| Molecular Weight | 180.2468 |
| SMILES | CC(C1C(C)=NN(C(C)(C)C)C=1)=O |
| Synonyms | 1-(1-tert-butyl-3-methyl-1H-pyrazol-4-yl)ethan-1-one,
1197859-35-0,
AC1Q1JZB,
CTK5J9826,
ZINC38342217,
AKOS026728312,
MCULE-1189952419,
NE41061,
EN300-53741,
AB01000538-01,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.251g/mol |
| Monoisotopic Mass | 180.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number