Cas no 88499-73-4 (4H-Pyran-4-one, 2-acetyl-3-hydroxy-6-phenyl-)

4H-Pyran-4-one, 2-acetyl-3-hydroxy-6-phenyl- structure
88499-73-4 structure
Product Name:4H-Pyran-4-one, 2-acetyl-3-hydroxy-6-phenyl-
CAS No:88499-73-4
MF:C13H10O4
MW:230.216104030609
CID:630509
PubChem ID:13200923
Update Time:2025-04-19

4H-Pyran-4-one, 2-acetyl-3-hydroxy-6-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 4H-Pyran-4-one, 2-acetyl-3-hydroxy-6-phenyl-
    • 2-acetyl-3-hydroxy-6-phenylpyran-4-one
    • KGVKLTCCXFGMCT-UHFFFAOYSA-N
    • SCHEMBL14973674
    • 88499-73-4
    • DTXSID40526991
    • 2-Acetyl-3-hydroxy-6-phenyl-4H-pyran-4-one
    • Inchi: 1S/C13H10O4/c1-8(14)13-12(16)10(15)7-11(17-13)9-5-3-2-4-6-9/h2-7,16H,1H3
    • InChI Key: KGVKLTCCXFGMCT-UHFFFAOYSA-N
    • SMILES: O1C(C(C)=O)=C(C(C=C1C1C=CC=CC=1)=O)O

Computed Properties

  • Exact Mass: 230.05790880g/mol
  • Monoisotopic Mass: 230.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 411
  • 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: 2.1
  • Topological Polar Surface Area: 63.6?2

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