Cas no 497937-01-6 (Benzoic acid, 2,4,6-triiodo-3-methoxy-, methyl ester)

Benzoic acid, 2,4,6-triiodo-3-methoxy-, methyl ester structure
497937-01-6 structure
Product Name:Benzoic acid, 2,4,6-triiodo-3-methoxy-, methyl ester
CAS No:497937-01-6
MF:C9H7I3O3
MW:543.863499879837
CID:1551512
Update Time:2024-08-24

Benzoic acid, 2,4,6-triiodo-3-methoxy-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2,4,6-triiodo-3-methoxy-, methyl ester
    • Inchi: 1S/C9H7I3O3/c1-14-8-5(11)3-4(10)6(7(8)12)9(13)15-2/h3H,1-2H3
    • InChI Key: PASZNZGFGKWGRL-UHFFFAOYSA-N
    • SMILES: C(OC)(=O)C1=C(I)C=C(I)C(OC)=C1I

Computed Properties

  • Exact Mass: 543.75151

Experimental Properties

  • Density: 2.499±0.06 g/cm3(Predicted)
  • Boiling Point: 460.3±45.0 °C(Predicted)
  • PSA: 35.53
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