Cas no 115852-13-6 (3-Furancarboxylic acid,2-methoxy-5-phenyl-, methyl ester)

3-Furancarboxylic acid,2-methoxy-5-phenyl-, methyl ester structure
115852-13-6 structure
Product Name:3-Furancarboxylic acid,2-methoxy-5-phenyl-, methyl ester
CAS No:115852-13-6
MF:C13H12O4
MW:232.231984138489
CID:130955
PubChem ID:14170435
Update Time:2025-04-19

3-Furancarboxylic acid,2-methoxy-5-phenyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 3-Furancarboxylic acid,2-methoxy-5-phenyl-, methyl ester
    • 2-METHOXY-3-METHOXYCARBONYL-5-PHENYL-FURAN
    • methyl 2-methoxy-5-phenylfuran-3-carboxylate
    • 2-METHYOXY-3-METHOXYCARBONYL-5-PHENYL-FURAN
    • methyl 2-methoxy-5-phenyl-furan-3-carboxylate
    • AKOS015963538
    • 115852-13-6
    • Inchi: 1S/C13H12O4/c1-15-12(14)10-8-11(17-13(10)16-2)9-6-4-3-5-7-9/h3-8H,1-2H3
    • InChI Key: ZMGCCVJNWKVLMW-UHFFFAOYSA-N
    • SMILES: O1C(=C(C(=O)OC)C=C1C1C=CC=CC=1)OC

Computed Properties

  • Exact Mass: 232.07356
  • Monoisotopic Mass: 232.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 260
  • 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: 2.8
  • Topological Polar Surface Area: 48.7?2

Experimental Properties

  • PSA: 48.67
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