Cas no 34501-80-9 (3,4-Furandicarboxylicacid, 3-ethyl ester)

3,4-Furandicarboxylicacid, 3-ethyl ester structure
34501-80-9 structure
Product Name:3,4-Furandicarboxylicacid, 3-ethyl ester
CAS No:34501-80-9
MF:C8H8O5
MW:184.146122932434
CID:318704
PubChem ID:271570
Update Time:2025-04-19

3,4-Furandicarboxylicacid, 3-ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 3,4-Furandicarboxylicacid, 3-ethyl ester
    • 4-ethoxycarbonylfuran-3-carboxylic acid
    • 4-(ethoxycarbonyl)furan-3-carboxylic acid
    • AC1L6QJV
    • AC1Q5UC8
    • AG-K-88780
    • AR-1F6979
    • CTK4H2509
    • NSC115160
    • CHEMBL1883556
    • ethyl hydrogen furan-3,4-dicarboxylate
    • DTXSID50297302
    • MLS002706610
    • KYXWQEYKJFHYIX-UHFFFAOYSA-N
    • SCHEMBL11082629
    • 4-ethoxycarbonyl-3-furoic acid
    • NSC-115160
    • SMR001574011
    • Furan-3,4-dicarboxylic acid monoethyl ester
    • 34501-80-9
    • Inchi: 1S/C8H8O5/c1-2-13-8(11)6-4-12-3-5(6)7(9)10/h3-4H,2H2,1H3,(H,9,10)
    • InChI Key: KYXWQEYKJFHYIX-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=COC=C1C(=O)O)=O

Computed Properties

  • Exact Mass: 184.03714
  • Monoisotopic Mass: 184.03717335g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 213
  • 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: 0.7
  • Topological Polar Surface Area: 76.7?2

Experimental Properties

  • PSA: 76.74
  • LogP: 1.15450
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