Cas no 81511-50-4 (Benzoic acid, 4-(acetyloxy)-, anhydride)

Benzoic acid, 4-(acetyloxy)-, anhydride structure
81511-50-4 structure
Product Name:Benzoic acid, 4-(acetyloxy)-, anhydride
CAS No:81511-50-4
MF:C18H14O7
MW:342.299565792084
CID:583514
PubChem ID:12430806
Update Time:2025-04-19

Benzoic acid, 4-(acetyloxy)-, anhydride Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-(acetyloxy)-, anhydride
    • (4-acetyloxybenzoyl) 4-acetyloxybenzoate
    • 4-(Acetyloxy)benzoic anhydride
    • 81511-50-4
    • SCHEMBL9507144
    • DTXSID70497968
    • Inchi: 1S/C18H14O7/c1-11(19)23-15-7-3-13(4-8-15)17(21)25-18(22)14-5-9-16(10-6-14)24-12(2)20/h3-10H,1-2H3
    • InChI Key: ADDPFERCWOYHPT-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(=CC=1)OC(C)=O)=O)C(C1C=CC(=CC=1)OC(C)=O)=O

Computed Properties

  • Exact Mass: 342.07395278g/mol
  • Monoisotopic Mass: 342.07395278g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 8
  • Complexity: 466
  • 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: 2.7
  • Topological Polar Surface Area: 96?2

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