Cas no 54607-64-6 (3,4-diphenylfuran-2-carboxylic acid)

3,4-diphenylfuran-2-carboxylic acid structure
54607-64-6 structure
Product Name:3,4-diphenylfuran-2-carboxylic acid
CAS No:54607-64-6
MF:C17H12O3
MW:264.275384902954
CID:1593333
PubChem ID:150270
Update Time:2025-04-21

3,4-diphenylfuran-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3,4-diphenylfuran-2-carboxylic acid
    • 2-furancarboxylic acid, 3,4-diphenyl-
    • 3,4-Diphenyl-2-furoic acid
    • 3,4-diphenyl-2-furancarboxylic Acid
    • KJVPADBZCZKNMP-UHFFFAOYSA-N
    • 54607-64-6
    • CCRIS 2160
    • SCHEMBL2097892
    • DTXSID40203038
    • UNII-U32EB8ZF2C
    • U32EB8ZF2C
    • Inchi: 1S/C17H12O3/c18-17(19)16-15(13-9-5-2-6-10-13)14(11-20-16)12-7-3-1-4-8-12/h1-11H,(H,18,19)
    • InChI Key: KJVPADBZCZKNMP-UHFFFAOYSA-N
    • SMILES: O1C=C(C2C=CC=CC=2)C(=C1C(=O)O)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 264.07866
  • Monoisotopic Mass: 264.078644
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 329
  • 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
  • Topological Polar Surface Area: 50.4
  • XLogP3: 4.1

Experimental Properties

  • Density: 1.227
  • Boiling Point: 396.2°C at 760 mmHg
  • Flash Point: 193.4°C
  • Refractive Index: 1.61
  • PSA: 50.44
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