Cas no 104273-99-6 (2-Propenoic acid, 3-[4-(acetyloxy)-3-ethoxyphenyl]-)

2-Propenoic acid, 3-[4-(acetyloxy)-3-ethoxyphenyl]- structure
104273-99-6 structure
Product Name:2-Propenoic acid, 3-[4-(acetyloxy)-3-ethoxyphenyl]-
CAS No:104273-99-6
MF:C13H14O5
MW:250.247264385223
CID:1142169
Update Time:2024-07-27

2-Propenoic acid, 3-[4-(acetyloxy)-3-ethoxyphenyl]- Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid, 3-[4-(acetyloxy)-3-ethoxyphenyl]-
    • Inchi： 1S/C13H14O5/c1-3-17-12-8-10(5-7-13(15)16)4-6-11(12)18-9(2)14/h4-8H,3H2,1-2H3,(H,15,16)
    • InChI Key： KDTUPJQCNDBOJZ-UHFFFAOYSA-N
    • SMILES： C(O)(=O)C=CC1=CC=C(OC(C)=O)C(OCC)=C1

Computed Properties

  • Exact Mass: 303.11071

Experimental Properties

  • Density: 1.231±0.06 g/cm3(Predicted)
  • Melting Point: 176-177 °C
  • Boiling Point: 384.1±27.0 °C(Predicted)
  • PSA: 85.62
  • pka: 4.33±0.10(Predicted)

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