4-(4-Methylphenyl)-3-hexanone
4-(4-methylphenyl)hexan-3-one
Also Known As: 4-(P-Tolyl)-3-Hexanone|4-(p-Tolyl)hexan-3-one|3-Hexanone, 4-(p-tolyl)-,|4-(4-methylphenyl)-3-hexanone|4-(4-methylphenyl)hexan-3-one
CAS: 6957-06-8
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.13577 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.13577 |
| Monoisotopic Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 6957-06-8 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)C)C(=O)CC |
| InChIKey | BFKWOJUMLYZWEE-UHFFFAOYSA-N |
Product Overview
4-(4-Methylphenyl)-3-hexanone (CAS 6957-06-8), with molecular formula C13H18O and molecular weight 190.13577 g/mol. IUPAC: 4-(4-methylphenyl)hexan-3-one.
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.
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