Cas no 77479-09-5 ([1,1'-Biphenyl]-4-butanoicacid, g-oxo-, sodium salt (1:1))

[1,1'-Biphenyl]-4-butanoicacid, g-oxo-, sodium salt (1:1) structure
77479-09-5 structure
Product Name:[1,1'-Biphenyl]-4-butanoicacid, g-oxo-, sodium salt (1:1)
CAS No:77479-09-5
MF:C16H13NaO3
MW:276.262395620346
CID:573089
PubChem ID:23671980
Update Time:2025-04-19

[1,1'-Biphenyl]-4-butanoicacid, g-oxo-, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-butanoicacid, g-oxo-, sodium salt (1:1)
    • gamma-Oxo-(1,1'-biphenyl)-4-butanoic acid, sodium salt
    • sodium,4-oxo-4-(4-phenylphenyl)butanoate
    • Γ-OXO-(1,1'-BIPHENYL)-4-BUTANOIC ACID SODIUM SALT
    • Gamma-oxo-(1,1'-biphenyl)-4-butanoic acid,sodium salt
    • Fenbufen sodium
    • DTXSID80228189
    • 77479-09-5
    • (1,1'-Biphenyl)-4-butanoic acid, gamma-oxo-, sodium salt
    • Inchi： 1S/C16H14O3.Na/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12;/h1-9H,10-11H2,(H,18,19);/q;+1/p-1
    • InChI Key： XVQJIQGMWDJLSO-UHFFFAOYSA-M
    • SMILES： [Na+].O=C(CCC(=O)[O-])C1C=CC(=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 276.07623855g/mol
  • Monoisotopic Mass: 276.07623855g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 316
  • 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: 57.2?2

[1,1'-Biphenyl]-4-butanoicacid, g-oxo-, sodium salt (1:1) Related Literature

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