Cas no 22804-53-1 (1,3-Dihydroxy-4,5-dimethoxyxanthone)

1,3-Dihydroxy-4,5-dimethoxyxanthone structure
22804-53-1 structure
Product Name:1,3-Dihydroxy-4,5-dimethoxyxanthone
CAS No:22804-53-1
MF:C15H12O6
MW:288.252184867859
CID:2014424
PubChem ID:5316765
Update Time:2025-04-21

1,3-Dihydroxy-4,5-dimethoxyxanthone Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dihydroxy-4,5-dimethoxyxanthone
    • 4,5-Di-Me ether-1,3,4,5-Tetrahydroxyxanthone
    • 22804-53-1
    • CHEBI:228324
    • 1,3-dihydroxy-4,5-dimethoxyxanthen-9-one
    • Inchi: 1S/C15H12O6/c1-19-10-5-3-4-7-12(18)11-8(16)6-9(17)14(20-2)15(11)21-13(7)10/h3-6,16-17H,1-2H3
    • InChI Key: OKHSSWSJVGEHDK-UHFFFAOYSA-N
    • SMILES: COC1C2OC3C(C(C=2C=CC=1)=O)=C(O)C=C(O)C=3OC

Computed Properties

  • Exact Mass: 288.06338810Da
  • Monoisotopic Mass: 288.06338810Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 400
  • 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: 1.159
  • Topological Polar Surface Area: 85.2?2
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