Cas no 77189-14-1 (1H-Cyclopenta[c]furan-1-one,3,3a,6,6a-tetrahydro-, (3aR,6aS)-rel-)

1H-Cyclopenta[c]furan-1-one,3,3a,6,6a-tetrahydro-, (3aR,6aS)-rel- structure
77189-14-1 structure
Product Name:1H-Cyclopenta[c]furan-1-one,3,3a,6,6a-tetrahydro-, (3aR,6aS)-rel-
CAS No:77189-14-1
MF:C7H8O2
MW:124.137222290039
CID:566586
PubChem ID:338681
Update Time:2025-04-19

1H-Cyclopenta[c]furan-1-one,3,3a,6,6a-tetrahydro-, (3aR,6aS)-rel- Chemical and Physical Properties

Names and Identifiers

    • 1H-Cyclopenta[c]furan-1-one,3,3a,6,6a-tetrahydro-, (3aR,6aS)-rel-
    • (3aS,6aS)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
    • (1S,5S)-3-oxabicyclo[3.3.0]oct-6-en-2-one
    • 1-oxo-1,3,3a,6a-tetrahydrocyclopenta< c> furan
    • 3-oxabicyclo[3.3.0]oct-6-en-2-one
    • 3-oxabicyclo< 3.3.0> oct-6-en-2-one
    • cis-2-methylcyclopent-3-ene-1,2'-carbolactone
    • NSC 362077
    • NSC-362077
    • DTXSID10998444
    • NSC362077
    • 77189-14-1
    • (3ar,6as)-3,3a,6,6a-tetra-hydro-1h-cyclopenta[c]furan-1-one
    • rel-(3aR,6aS)-3,3a,6,6a-Tetrahydro-1H-cyclopenta[c]furan-1-one
    • 3,3a,6,6a-Tetrahydro-1H-cyclopenta[c]furan-1-one
    • (3aS,6aR)-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3-one
    • Inchi： 1S/C7H8O2/c8-7-6-3-1-2-5(6)4-9-7/h1-2,5-6H,3-4H2/t5-,6-/m0/s1
    • InChI Key： XYRFGFRTVXZAIU-WDSKDSINSA-N
    • SMILES： O1C([C@H]2CC=C[C@H]2C1)=O

Computed Properties

  • Exact Mass: 124.05244
  • Monoisotopic Mass: 124.052
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 172
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.196±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 263.1±39.0 oC (760 Torr),
  • Flash Point: 104.0±24.5 oC,
  • Refractive Index: 1.522
  • Solubility: Slightly soluble (2.2 g/l) (25 o C),
  • PSA: 26.3
  • LogP: 0.73550

1H-Cyclopenta[c]furan-1-one,3,3a,6,6a-tetrahydro-, (3aR,6aS)-rel- Related Literature

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77189-14-1 (1H-Cyclopenta[c]furan-1-one,3,3a,6,6a-tetrahydro-, (3aR,6aS)-rel-) Related Products

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