Cas no 69277-27-6 (Benzoic acid, 4-(furanyl)-, ethyl ester)

Benzoic acid, 4-(furanyl)-, ethyl ester structure
69277-27-6 structure
Product Name:Benzoic acid, 4-(furanyl)-, ethyl ester
CAS No:69277-27-6
MF:C13H12O3
MW:216.232583999634
CID:391976
PubChem ID:12464309
Update Time:2025-04-19

Benzoic acid, 4-(furanyl)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-(furanyl)-, ethyl ester
    • ethyl 4-(furan-2-yl)benzoate
    • DTXSID20499295
    • 35461-96-2
    • 69277-27-6
    • Benzoic acid,4-(2-furanyl)-,ethyl ester
    • AKOS024437548
    • Benzoic acid, 4-(2-furanyl)-, ethyl ester
    • Inchi: 1S/C13H12O3/c1-2-15-13(14)11-7-5-10(6-8-11)12-4-3-9-16-12/h3-9H,2H2,1H3
    • InChI Key: IOKSGGUJHUNARM-UHFFFAOYSA-N
    • SMILES: O1C=CC=C1C1C=CC(C(=O)OCC)=CC=1

Computed Properties

  • Exact Mass: 216.078644241g/mol
  • Monoisotopic Mass: 216.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 231
  • 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: 2.9
  • Topological Polar Surface Area: 39.4?2
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