Cas no 154222-96-5 (3-Furancarboxylic acid,4-methyl-, ethyl ester)

3-Furancarboxylic acid,4-methyl-, ethyl ester structure
154222-96-5 structure
Product Name:3-Furancarboxylic acid,4-methyl-, ethyl ester
CAS No:154222-96-5
MF:C8H10O3
MW:154.163202762604
CID:106493
PubChem ID:10909780
Update Time:2025-04-18

3-Furancarboxylic acid,4-methyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 3-Furancarboxylic acid,4-methyl-, ethyl ester
    • 3-Furancarboxylicacid,4-methyl-,ethylester(9CI)
    • MC 9761
    • Ethyl 4-methylfuran-3-carboxylate
    • 154222-96-5
    • SCHEMBL18322304
    • Inchi: 1S/C8H10O3/c1-3-11-8(9)7-5-10-4-6(7)2/h4-5H,3H2,1-2H3
    • InChI Key: UIMHKAPKGFWTRA-UHFFFAOYSA-N
    • SMILES: O1C=C(C)C(=C1)C(=O)OCC

Computed Properties

  • Exact Mass: 154.06300
  • Monoisotopic Mass: 154.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 144
  • 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: 1.6
  • Topological Polar Surface Area: 39.4?2

Experimental Properties

  • PSA: 39.44000
  • LogP: 1.76470

3-Furancarboxylic acid,4-methyl-, ethyl ester Related Literature

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