Cas no 115347-50-7 (4-Pentenoic acid, 2-hydroxy-2-(trifluoromethyl)-)

4-Pentenoic acid, 2-hydroxy-2-(trifluoromethyl)- structure
115347-50-7 structure
Product Name:4-Pentenoic acid, 2-hydroxy-2-(trifluoromethyl)-
CAS No:115347-50-7
MF:C6H7F3O3
MW:184.113192796707
CID:1204653
Update Time:2024-08-05

4-Pentenoic acid, 2-hydroxy-2-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 4-Pentenoic acid, 2-hydroxy-2-(trifluoromethyl)-
    • Inchi: 1S/C6H7F3O3/c1-2-3-5(12,4(10)11)6(7,8)9/h2,12H,1,3H2,(H,10,11)
    • InChI Key: IRTLLAJCWWXDKC-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C(O)(C(F)(F)F)CC=C

Computed Properties

  • Exact Mass: 198.05037

Experimental Properties

  • Density: 1.402±0.06 g/cm3(Predicted)
  • Boiling Point: 264.7±35.0 °C(Predicted)
  • PSA: 46.53
  • pka: 2.34±0.22(Predicted)
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