| CAS Number | 1152818-90-0 |
| Catalog Number | AG01BINT |
| Chemical Name | 2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-one |
| IUPAC Name | 2-methyl-1-(1-methylpyrazol-4-yl)propan-1-one |
| InChI | InChI=1S/C8H12N2O/c1-6(2)8(11)7-4-9-10(3)5-7/h4-6H,1-3H3 |
| InChI Key | UFJDXXRKOQJVRQ-UHFFFAOYSA-N |
| MDL Number | MFCD11105698 |
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.1937 |
| SMILES | CC(C(C1=CN(C)N=C1)=O)C |
| Synonyms | 2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-one,
1152818-90-0,
SCHEMBL10044971,
ZINC34976998,
AKOS009347110,
Z2830975987,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.197g/mol |
| Monoisotopic Mass | 152.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number