Cas no 99681-64-8 (p-(p-Acetoxybenzoyloxy)benzoic acid benzyl ester)

p-(p-Acetoxybenzoyloxy)benzoic acid benzyl ester structure
99681-64-8 structure
Product Name:p-(p-Acetoxybenzoyloxy)benzoic acid benzyl ester
CAS No:99681-64-8
MF:C23H18O6
MW:390.385426998138
CID:1992811
PubChem ID:13587739
Update Time:2025-04-21

p-(p-Acetoxybenzoyloxy)benzoic acid benzyl ester Chemical and Physical Properties

Names and Identifiers

    • p-(p-Acetoxybenzoyloxy)benzoic acid benzyl ester
    • (4-phenylmethoxycarbonylphenyl) 4-acetyloxybenzoate
    • 99681-64-8
    • DTXSID90544488
    • benzyl p-(p-acetoxybenzoyloxy)benzoate
    • STOLHTSXPDNJJX-UHFFFAOYSA-N
    • SCHEMBL10709793
    • 4-[(Benzyloxy)carbonyl]phenyl 4-(acetyloxy)benzoate
    • Inchi: 1S/C23H18O6/c1-16(24)28-20-11-9-19(10-12-20)23(26)29-21-13-7-18(8-14-21)22(25)27-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3
    • InChI Key: STOLHTSXPDNJJX-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(=CC=1)OC(C1C=CC(=CC=1)OC(C)=O)=O)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 390.11033829g/mol
  • Monoisotopic Mass: 390.11033829g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 9
  • Complexity: 552
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.1
  • Topological Polar Surface Area: 78.9?2
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