Cas no 54607-68-0 (2,5-Furandicarboxylic acid, 3,4-diphenyl-)

2,5-Furandicarboxylic acid, 3,4-diphenyl- structure
54607-68-0 structure
Product Name:2,5-Furandicarboxylic acid, 3,4-diphenyl-
CAS No:54607-68-0
MF:C18H12O5
MW:308.284885406494
CID:354140
PubChem ID:66591943
Update Time:2025-04-19

2,5-Furandicarboxylic acid, 3,4-diphenyl- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Furandicarboxylic acid, 3,4-diphenyl-
    • 3,4-diphenylfuran-2,5-dicarboxylic acid
    • SCHEMBL71486
    • 54607-68-0
    • DTXSID90735394
    • Inchi: 1S/C18H12O5/c19-17(20)15-13(11-7-3-1-4-8-11)14(16(23-15)18(21)22)12-9-5-2-6-10-12/h1-10H,(H,19,20)(H,21,22)
    • InChI Key: LDDZEUQIOUSVRM-UHFFFAOYSA-N
    • SMILES: O1C(C(=O)O)=C(C2C=CC=CC=2)C(=C1C(=O)O)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 308.06846
  • Monoisotopic Mass: 308.06847348g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 397
  • 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
  • Topological Polar Surface Area: 87.7?2

Experimental Properties

  • PSA: 87.74
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