Cas no 586961-57-1 (5-Hexen-2-one, 1-[3-(trifluoromethyl)phenyl]-)

5-Hexen-2-one, 1-[3-(trifluoromethyl)phenyl]- structure
586961-57-1 structure
Product Name:5-Hexen-2-one, 1-[3-(trifluoromethyl)phenyl]-
CAS No:586961-57-1
MF:C13H13F3O
MW:242.236934423447
CID:1612059
Update Time:2024-09-13

5-Hexen-2-one, 1-[3-(trifluoromethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 5-Hexen-2-one, 1-[3-(trifluoromethyl)phenyl]-
    • Inchi: 1S/C13H13F3O/c1-2-3-7-12(17)9-10-5-4-6-11(8-10)13(14,15)16/h2,4-6,8H,1,3,7,9H2
    • InChI Key: RRDNDUWJLPCGDG-UHFFFAOYSA-N
    • SMILES: C(C1=CC=CC(C(F)(F)F)=C1)C(=O)CCC=C

Computed Properties

  • Exact Mass: 242.09189

Experimental Properties

  • Density: 1.131±0.06 g/cm3(Predicted)
  • Boiling Point: 268.5±35.0 °C(Predicted)
  • PSA: 17.07
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