Cas no 159411-40-2 (Benzoic acid, 4-propoxy-, 4-carboxyphenyl ester)

Benzoic acid, 4-propoxy-, 4-carboxyphenyl ester structure
159411-40-2 structure
Product Name:Benzoic acid, 4-propoxy-, 4-carboxyphenyl ester
CAS No:159411-40-2
MF:C17H16O5
MW:300.305945396423
CID:1338135
Update Time:2024-08-17

Benzoic acid, 4-propoxy-, 4-carboxyphenyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-propoxy-, 4-carboxyphenyl ester
    • Inchi: 1S/C17H16O5/c1-2-11-21-14-7-5-13(6-8-14)17(20)22-15-9-3-12(4-10-15)16(18)19/h3-10H,2,11H2,1H3,(H,18,19)
    • InChI Key: FPJMVAUBWZUTAT-UHFFFAOYSA-N
    • SMILES: C(OC1=CC=C(C(O)=O)C=C1)(=O)C1=CC=C(OCCC)C=C1

Computed Properties

  • Exact Mass: 300.09978

Experimental Properties

  • Density: 1.238±0.06 g/cm3(Predicted)
  • Melting Point: 204.9-207.4 °C(Solv: acetone (67-64-1))
  • Boiling Point: 488.1±30.0 °C(Predicted)
  • PSA: 72.83
  • pka: 4.01±0.10(Predicted)
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