Cas no 5434-73-1 (Benzoic acid,4-hydroxy-, propyl ester, zinc salt (2:1))

Benzoic acid,4-hydroxy-, propyl ester, zinc salt (2:1) structure
5434-73-1 structure
Product Name:Benzoic acid,4-hydroxy-, propyl ester, zinc salt (2:1)
CAS No:5434-73-1
MF:C10H12O3Zn
MW:245.609479904175
CID:383940
PubChem ID:54611713
Update Time:2025-04-19

Benzoic acid,4-hydroxy-, propyl ester, zinc salt (2:1) Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-hydroxy-, propyl ester, zinc salt (2:1)
    • zinc,propyl 4-hydroxybenzoate
    • NSC13166
    • NSC-13166
    • zinc;propyl 4-hydroxybenzoate
    • 5434-73-1
    • DTXSID20715402
    • Inchi： 1S/C10H12O3.Zn/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h3-6,11H,2,7H2,1H3;/q;+2
    • InChI Key： DKCVVRWLHXLHFF-UHFFFAOYSA-N
    • SMILES： [Zn+2].O(C(C1C=CC(=CC=1)O)=O)CCC

Computed Properties

  • Exact Mass: 244.00800
  • Monoisotopic Mass: 244.008
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 160
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.5A^2

Experimental Properties

  • PSA: 46.53000
  • LogP: 1.95650

Benzoic acid,4-hydroxy-, propyl ester, zinc salt (2:1) Related Literature

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