Cas no 123465-67-8 (p-Aminosalicylic acid magnesium salt)

p-Aminosalicylic acid magnesium salt structure
123465-67-8 structure
Product Name:p-Aminosalicylic acid magnesium salt
CAS No:123465-67-8
MF:C14H12MgN2O6
MW:328.55988407135
CID:63685
PubChem ID:57086143
Update Time:2025-04-18

p-Aminosalicylic acid magnesium salt Chemical and Physical Properties

Names and Identifiers

    • p-Aminosalicylic acid magnesium salt
    • 4-Amino-2-hydroxybenzoic acid magnesium salt (2:1) tetrahydrate
    • magnesium,5-amino-2-carboxyphenolate
    • Q822
    • P-AMINO SALICYLIC ACID MAGNESIUM
    • 4-amino-2-hydroxybenzoic acid magnesium salt tetrahydrate
    • magnesium;5-amino-2-carboxyphenolate
    • DTXSID20241190
    • 123465-67-8
    • Inchi: 1S/2C7H7NO3.Mg/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,9H,8H2,(H,10,11);/q;;+2/p-2
    • InChI Key: OLNYXANHZIFMBQ-UHFFFAOYSA-L
    • SMILES: [Mg+2].[O-]C1C=C(C=CC=1C(=O)O)N.[O-]C1C=C(C=CC=1C(=O)O)N

Computed Properties

  • Exact Mass: 328.05500
  • Monoisotopic Mass: 328.0545778g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 2
  • Complexity: 160
  • 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
  • Topological Polar Surface Area: 173?2

Experimental Properties

  • PSA: 145.10000
  • LogP: 2.35340
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