Cas no 97271-39-1 (2,5-Furandicarboxaldehyde,3-methyl-)

2,5-Furandicarboxaldehyde,3-methyl- structure
97271-39-1 structure
Product Name:2,5-Furandicarboxaldehyde,3-methyl-
CAS No:97271-39-1
MF:C7H6O3
MW:138.120742321014
CID:800959
PubChem ID:45118072
Update Time:2025-04-19

2,5-Furandicarboxaldehyde,3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Furandicarboxaldehyde,3-methyl-
    • 3-Methylfuran-2,5-dicarbaldehyde
    • 97271-39-1
    • Inchi: 1S/C7H6O3/c1-5-2-6(3-8)10-7(5)4-9/h2-4H,1H3
    • InChI Key: YMXLUWJNVGGYMW-UHFFFAOYSA-N
    • SMILES: O1C(C=O)=CC(C)=C1C=O

Computed Properties

  • Exact Mass: 138.032
  • Monoisotopic Mass: 138.032
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • 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
  • Topological Polar Surface Area: 47.3A^2
  • XLogP3: 0.9
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