Cas no 144840-94-8 (Benzoic acid, 3,5-bis[[3,5-bis(phenylmethoxy)benzoyl]oxy]-)

Benzoic acid, 3,5-bis[[3,5-bis(phenylmethoxy)benzoyl]oxy]- structure
144840-94-8 structure
Product Name:Benzoic acid, 3,5-bis[[3,5-bis(phenylmethoxy)benzoyl]oxy]-
CAS No:144840-94-8
MF:C49H38O10
MW:786.820034503937
CID:1314472
Update Time:2024-08-18

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

Names and Identifiers

    • Benzoic acid, 3,5-bis[[3,5-bis(phenylmethoxy)benzoyl]oxy]-
    • Inchi： 1S/C49H38O10/c50-47(51)38-21-45(58-48(52)39-23-41(54-30-34-13-5-1-6-14-34)27-42(24-39)55-31-35-15-7-2-8-16-35)29-46(22-38)59-49(53)40-25-43(56-32-36-17-9-3-10-18-36)28-44(26-40)57-33-37-19-11-4-12-20-37/h1-29H,30-33H2,(H,50,51)
    • InChI Key： YUSMRRLRNQQUKZ-UHFFFAOYSA-N
    • SMILES： C(O)(=O)C1=CC(OC(=O)C2=CC(OCC3=CC=CC=C3)=CC(OCC3=CC=CC=C3)=C2)=CC(OC(=O)C2=CC(OCC3=CC=CC=C3)=CC(OCC3=CC=CC=C3)=C2)=C1

Computed Properties

  • Exact Mass: 786.24654

Experimental Properties

  • Density: 1.294±0.06 g/cm3(Predicted)
  • Boiling Point: 948.5±65.0 °C(Predicted)
  • PSA: 126.82
  • pka: 3.52±0.10(Predicted)

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