Cas no 59413-72-8 (5-(hydroxymethyl)-3-Furancarbonitrile)

5-(hydroxymethyl)-3-Furancarbonitrile structure
59413-72-8 structure
Product Name:5-(hydroxymethyl)-3-Furancarbonitrile
CAS No:59413-72-8
MF:C6H5NO2
MW:123.109401464462
MDL:MFCD15143797
CID:1114605
PubChem ID:12289787
Update Time:2025-04-20

5-(hydroxymethyl)-3-Furancarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-(hydroxymethyl)-3-Furancarbonitrile
    • 5-Hydroxymethyl-furan-3-carbonitrile
    • SCHEMBL18939082
    • 5-(Hydroxymethyl)furan-3-carbonitrile
    • 59413-72-8
    • DTXSID401286560
    • 3-Furancarbonitrile, 5-(hydroxymethyl)-
    • MDL: MFCD15143797
    • Inchi: 1S/C6H5NO2/c7-2-5-1-6(3-8)9-4-5/h1,4,8H,3H2
    • InChI Key: PPPPJFDWESULFP-UHFFFAOYSA-N
    • SMILES: O1C=C(C#N)C=C1CO

Computed Properties

  • Exact Mass: 123.032028402g/mol
  • Monoisotopic Mass: 123.032028402g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 137
  • 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: -0.1
  • Topological Polar Surface Area: 57.2?2

5-(hydroxymethyl)-3-Furancarbonitrile Pricemore >>

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