Cas no 5731-09-9 ([1,1':3',1''-Terphenyl]-4-carboxylic acid)

[1,1':3',1''-Terphenyl]-4-carboxylic acid structure
5731-09-9 structure
Product Name:[1,1':3',1''-Terphenyl]-4-carboxylic acid
CAS No:5731-09-9
MF:C19H14O2
MW:274.313265323639
CID:1604253
PubChem ID:22998925
Update Time:2025-04-21

[1,1':3',1''-Terphenyl]-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • [1,1':3',1''-Terphenyl]-4-carboxylic acid
    • 4-{[1,1'-biphenyl]-3-yl}benzoic acid
    • EN300-1585808
    • m-terphenyl-4-carboxylic acid
    • SCHEMBL2346605
    • 5731-09-9
    • Inchi: 1S/C19H14O2/c20-19(21)16-11-9-15(10-12-16)18-8-4-7-17(13-18)14-5-2-1-3-6-14/h1-13H,(H,20,21)
    • InChI Key: QFUHWJYARIYZNZ-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)C1C=CC=C(C2C=CC=CC=2)C=1)=O

Computed Properties

  • Exact Mass: 274.09942
  • Monoisotopic Mass: 274.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 338
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.7
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

[1,1':3',1''-Terphenyl]-4-carboxylic acid Pricemore >>

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