Stk064286
phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone
Also Known As: phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone|BAS 00399730|1-benzoyl-3,5,5-trimethyl-4,5-dihydro-1H-pyrazole|AS-662/40002176|SR-01000312519-1|phenyl(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methanone|Phenyl-(3,5,5-trimethyl-4,5-dihydro-pyrazol-1-yl)-methanone
CAS: 4590-79-8
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.12627 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.12627 |
| Monoisotopic Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 4590-79-8 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)C)C(=O)C2=CC=CC=C2 |
| InChIKey | VNANOPQDFPYYLB-UHFFFAOYSA-N |
Product Overview
Stk064286 (CAS 4590-79-8), with molecular formula C13H16N2O and molecular weight 216.12627 g/mol. IUPAC: phenyl-(3,5,5-trimethyl-4H-pyrazol-1-yl)methanone.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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