Cas no 143345-04-4 (Benzoic acid, 3,5-bis[[3,5-bis(benzoyloxy)benzoyl]oxy]-)

Benzoic acid, 3,5-bis[[3,5-bis(benzoyloxy)benzoyl]oxy]- structure
143345-04-4 structure
Product Name:Benzoic acid, 3,5-bis[[3,5-bis(benzoyloxy)benzoyl]oxy]-
CAS No:143345-04-4
MF:C49H30O14
MW:842.754114627838
CID:1316930
Update Time:2024-08-18

Benzoic acid, 3,5-bis[[3,5-bis(benzoyloxy)benzoyl]oxy]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3,5-bis[[3,5-bis(benzoyloxy)benzoyl]oxy]-
    • Inchi： 1S/C49H30O14/c50-43(51)34-21-37(62-48(56)35-23-39(58-44(52)30-13-5-1-6-14-30)28-40(24-35)59-45(53)31-15-7-2-8-16-31)27-38(22-34)63-49(57)36-25-41(60-46(54)32-17-9-3-10-18-32)29-42(26-36)61-47(55)33-19-11-4-12-20-33/h1-29H,(H,50,51)
    • InChI Key： PGDONJABHDOGLU-UHFFFAOYSA-N
    • SMILES： C(O)(=O)C1=CC(OC(=O)C2=CC(OC(=O)C3=CC=CC=C3)=CC(OC(=O)C3=CC=CC=C3)=C2)=CC(OC(=O)C2=CC(OC(=O)C3=CC=CC=C3)=CC(OC(=O)C3=CC=CC=C3)=C2)=C1

Computed Properties

  • Exact Mass: 842.1635

Experimental Properties

  • Density: 1.398±0.06 g/cm3(Predicted)
  • Boiling Point: 1006.0±65.0 °C(Predicted)
  • PSA: 195.1
  • pka: 3.52±0.10(Predicted)

Benzoic acid, 3,5-bis[[3,5-bis(benzoyloxy)benzoyl]oxy]- Related Literature

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