Cas no 22961-79-1 (9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy-)

9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy- structure
22961-79-1 structure
Product Name:9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy-
CAS No:22961-79-1
MF:C17H16O7
MW:332.304745674133
CID:1415347
PubChem ID:5318357
Update Time:2025-04-20

9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy- Chemical and Physical Properties

Names and Identifiers

    • 9H-Xanthen-9-one, 1-hydroxy-2,3,4,5-tetramethoxy-
    • 1-hydroxy-2,3,4,5-tetramethoxyxanthen-9-one
    • ZHOIDKZROFMQSS-UHFFFAOYSA-N
    • DTXSID50415741
    • 1-Hydroxy-2,3,4,5-tetramethoxyxanthone
    • 1-HYDROXY-2,3,4,5-TETRAMETHOXY-9H-XANTHEN-9-ONE
    • Xanthone, 1-hydroxy-2,3,4,5-tetramethoxy-
    • SCHEMBL18240048
    • 22961-79-1
    • Dulcisxanthone C
    • Inchi: 1S/C17H16O7/c1-20-9-7-5-6-8-11(18)10-12(19)15(21-2)17(23-4)16(22-3)14(10)24-13(8)9/h5-7,19H,1-4H3
    • InChI Key: ZHOIDKZROFMQSS-UHFFFAOYSA-N
    • SMILES: O1C2C(=CC=CC=2C(C2C(=C(C(=C(C1=2)OC)OC)OC)O)=O)OC

Computed Properties

  • Exact Mass: 332.08958
  • Monoisotopic Mass: 332.08960285g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 456
  • 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: 3
  • Topological Polar Surface Area: 83.4?2

Experimental Properties

  • PSA: 83.45
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