Cas no 24742-16-3 (Benzoic acid,titanium(4+) salt (4:1))

Benzoic acid,titanium(4+) salt (4:1) structure
24742-16-3 structure
Product Name:Benzoic acid,titanium(4+) salt (4:1)
CAS No:24742-16-3
MF:C7H5O2Ti
MW:168.980402708054
CID:267064
PubChem ID:25085688
Update Time:2025-04-19

Benzoic acid,titanium(4+) salt (4:1) Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,titanium(4+) salt (4:1)
    • titanium(4+),tetrabenzoate
    • Benzoic acid, titanium(4++) salt
    • titanium tetrabenzoate
    • Titanium(4+) benzoate
    • EINECS 246-444-0
    • 24742-16-3
    • Inchi: 1S/C7H6O2.Ti/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+4/p-1
    • InChI Key: KNDRJOWGUMNSSK-UHFFFAOYSA-M
    • SMILES: [Ti+4].[O-]C(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 530.0684
  • Monoisotopic Mass: 168.976902
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 0
  • Complexity: 98
  • Covalently-Bonded Unit Count: 5
  • 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: 40.1

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 160.52

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