Cas no 53319-52-1 (Isogospherol)

Isogospherol structure
Isogospherol structure
Product Name:Isogospherol
CAS No:53319-52-1
MF:C16H14O5
MW:286.279365062714
CID:377754
PubChem ID:148619
Update Time:2025-07-11

Isogospherol Chemical and Physical Properties

Names and Identifiers

    • Isogospherol
    • 9-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
    • ISOGOSFEROL
    • RTUPRHIHXSAWDP-UHFFFAOYSA
    • [ "Isogospherol" ]
    • RTUPRHIHXSAWDP-UHFFFAOYSA-
    • AKOS032948613
    • 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((2-hydroxy-3-methyl-3-butenyl)oxy)-
    • InChI=1/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,12,17H,1,8H2,2H3
    • DTXSID40967926
    • starbld0006475
    • (+)-Isogospherol
    • 9-((2-Hydroxy-3-methylbut-3-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
    • 53319-52-1
    • SCHEMBL2468855
    • 9-((2-Hydroxy-3-methyl-3-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one
    • 9-[(2-Hydroxy-3-methylbut-3-en-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
    • MEGxp0_000940
    • 9-[[(2R)-2-Hydroxy-3-methyl-3-buten-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one; (+)-Isogospherol
    • CHEMBL5267763
    • DA-64542
    • 9-[(2-HYDROXY-3-METHYLBUT-3-EN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE
    • Inchi: 1S/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,12,17H,1,8H2,2H3
    • InChI Key: RTUPRHIHXSAWDP-UHFFFAOYSA-N
    • SMILES: O(CC(C(=C)C)O)C1C2=C(C=CC(=O)O2)C=C2C=COC=12

Computed Properties

  • Exact Mass: 286.08400
  • Monoisotopic Mass: 286.08412354g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 458
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 68.9?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 498.2±45.0 °C at 760 mmHg
  • Flash Point: 255.1±28.7 °C
  • PSA: 72.81000
  • LogP: 2.85500
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

Isogospherol Security Information

Isogospherol Pricemore >>

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