Cas no 70875-96-6 (Benzoic acid,2-(acetyloxy)-, zinc salt (2:1))

Benzoic acid,2-(acetyloxy)-, zinc salt (2:1) structure
70875-96-6 structure
Product Name:Benzoic acid,2-(acetyloxy)-, zinc salt (2:1)
CAS No:70875-96-6
MF:C18H14O8Zn
MW:423.70796251297
CID:570868
PubChem ID:155576
Update Time:2025-04-19

Benzoic acid,2-(acetyloxy)-, zinc salt (2:1) Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-(acetyloxy)-, zinc salt (2:1)
    • zinc o-acetylsalicylate
    • zinc,2-acetyloxybenzoate
    • zinc bis[2-(acetyloxy)benzoate]
    • EINECS 274-970-0
    • ACETYLSALICYLATE ZINC
    • Zinc aspirin
    • NS00091635
    • BENZOIC ACID, 2-(ACETYLOXY)-, ZINC SALT
    • BENZOIC ACID, 2-(ACETYLOXY)-, ZINC SALT (2:1)
    • 8649Y4P3PA
    • ACETYLSALICYLATE ZINC [WHO-DD]
    • DTXSID30221105
    • UNII-8649Y4P3PA
    • 70875-96-6
    • Inchi: 1S/2C9H8O4.Zn/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2*2-5H,1H3,(H,11,12);/q;;+2/p-2
    • InChI Key: QERFJLRDDKQIKF-UHFFFAOYSA-L
    • SMILES: [Zn+2].O(C(C)=O)C1C=CC=CC=1C(=O)[O-].O(C(C)=O)C1C=CC=CC=1C(=O)[O-]

Computed Properties

  • Exact Mass: 426.02924
  • Monoisotopic Mass: 421.998
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 4
  • Complexity: 206
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 133?2

Experimental Properties

  • Boiling Point: 321.4°C at 760 mmHg
  • Flash Point: 131.2°C
  • PSA: 154.86
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