Cas no 108113-57-1 (3-[4-(pentyloxy)phenyl]prop-2-enoic acid)

3-[4-(pentyloxy)phenyl]prop-2-enoic acid structure
108113-57-1 structure
Product Name:3-[4-(pentyloxy)phenyl]prop-2-enoic acid
CAS No:108113-57-1
MF:C14H18O3
MW:234.290924549103
CID:1184852
Update Time:2024-08-05

3-[4-(pentyloxy)phenyl]prop-2-enoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-[4-(pentyloxy)phenyl]prop-2-enoic acid
    • 2-propenoic acid, 3-[4-(pentyloxy)phenyl]-
    • 3-[4-(Pentyloxy)phenyl]acrylic acid
    • Inchi: 1S/C14H18O3/c1-2-3-4-11-17-13-8-5-12(6-9-13)7-10-14(15)16/h5-10H,2-4,11H2,1H3,(H,15,16)
    • InChI Key: WXPBGFBUVHLMSK-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C=CC1=CC=C(OCCCCC)C=C1

Computed Properties

  • Exact Mass: 234.12564

Experimental Properties

  • Density: 1.089±0.06 g/cm3(Predicted)
  • Melting Point: 175.6-177.6 °C
  • Boiling Point: 389.1±17.0 °C(Predicted)
  • PSA: 46.53
  • pka: 4.61±0.10(Predicted)
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