Cas no 110011-51-3 (2H-Pyran-2-one, 5,6-dihydro-6-[(2R,3R)-3-phenyloxiranyl]-, (6R)-)

2H-Pyran-2-one, 5,6-dihydro-6-[(2R,3R)-3-phenyloxiranyl]-, (6R)- structure
110011-51-3 structure
Product Name:2H-Pyran-2-one, 5,6-dihydro-6-[(2R,3R)-3-phenyloxiranyl]-, (6R)-
CAS No:110011-51-3
MF:C13H12O3
MW:216.232583999634
CID:1195018
PubChem ID:11206694
Update Time:2025-04-20

2H-Pyran-2-one, 5,6-dihydro-6-[(2R,3R)-3-phenyloxiranyl]-, (6R)- Chemical and Physical Properties

Names and Identifiers

    • 2H-Pyran-2-one, 5,6-dihydro-6-[(2R,3R)-3-phenyloxiranyl]-, (6R)-
    • (6R)-6-[(2R,3R)-3-Phenyl-2-oxiranyl]-5,6-dihydro-2H-pyran-2-one
    • 110011-51-3
    • DTXSID101339033
    • (+)-Goniothalamin oxide
    • Inchi: 1S/C13H12O3/c14-11-8-4-7-10(15-11)13-12(16-13)9-5-2-1-3-6-9/h1-6,8,10,12-13H,7H2/t10-,12-,13-/m1/s1
    • InChI Key: GMKNQTQLCWOLSD-RAIGVLPGSA-N
    • SMILES: O1[C@H](C2C=CC=CC=2)[C@H]1[C@H]1CC=CC(=O)O1

Computed Properties

  • Exact Mass: 216.078644241g/mol
  • Monoisotopic Mass: 216.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 304
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 38.8?2

2H-Pyran-2-one, 5,6-dihydro-6-[(2R,3R)-3-phenyloxiranyl]-, (6R)- Related Literature

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