Cas no 21984-93-0 (5-methylfuran-3-carboxylic acid)

5-methylfuran-3-carboxylic acid structure
21984-93-0 structure
Product Name:5-methylfuran-3-carboxylic acid
CAS No:21984-93-0
MF:C6H6O3
MW:126.110042095184
MDL:MFCD00040790
CID:283588
PubChem ID:179379
Update Time:2025-04-19

5-methylfuran-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-methyl-3-Furancarboxylic acid
    • 3-Furancarboxylic acid,5-methyl-
    • 5-METHYLFURAN-3-CARBOXYLIC ACID
    • 2-Methyl-4-furoic Acid
    • 5-methyl-3-furylcarboxylic acid
    • 5-Methyl-furan-3-carbonsaeure
    • 5-methyl-furan-3-carboxylic acid
    • 5-Methyl-furan-carbonsaeure-(3)
    • AC1L455B
    • AG-I-03166
    • CTK4E8126
    • QC-9860
    • SBB062730
    • SureCN4729951
    • DTXSID00944576
    • 21984-93-0
    • DS-9296
    • 5-methylfuran-3-carboxylicAcid
    • AT17486
    • CS-0372581
    • AKOS005137894
    • MDVRXWAAVDTLFJ-UHFFFAOYSA-N
    • EN300-114506
    • SCHEMBL4729951
    • W-206695
    • Z1205493994
    • A878834
    • 3-Furancarboxylic acid, 5-methyl-
    • WAA98493
    • AMY19573
    • MFCD00040790
    • 5-methylfuran-3-carboxylic acid
    • MDL: MFCD00040790
    • Inchi: 1S/C6H6O3/c1-4-2-5(3-9-4)6(7)8/h2-3H,1H3,(H,7,8)
    • InChI Key: MDVRXWAAVDTLFJ-UHFFFAOYSA-N
    • SMILES: O1C=C(C(=O)O)C=C1C

Computed Properties

  • Exact Mass: 126.03168
  • Monoisotopic Mass: 126.031694049g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 122
  • 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: 0.9
  • Topological Polar Surface Area: 50.4?2

Experimental Properties

  • Density: 1.2653 (rough estimate)
  • Melting Point: 119°C
  • Boiling Point: 234.8°C at 760 mmHg
  • Refractive Index: 1.4676 (estimate)
  • PSA: 50.44

5-methylfuran-3-carboxylic acid Security Information

5-methylfuran-3-carboxylic acid Pricemore >>

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