Cas no 20848-59-3 (9H-Xanthen-9-one,1-hydroxy-3,4,7-trimethoxy-)

9H-Xanthen-9-one,1-hydroxy-3,4,7-trimethoxy- structure
20848-59-3 structure
Product Name:9H-Xanthen-9-one,1-hydroxy-3,4,7-trimethoxy-
CAS No:20848-59-3
MF:C16H14O6
MW:302.278765201569
CID:253309
PubChem ID:72944463
Update Time:2025-04-19

9H-Xanthen-9-one,1-hydroxy-3,4,7-trimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 9H-Xanthen-9-one,1-hydroxy-3,4,7-trimethoxy-
    • 1-Hydroxy-3,4,7-trimethoxy-9H-xanthen-9-one
    • LogP
    • 1-HYDROXY-3,4,5-TRIMETHOXYXANTHEN-9-ONE
    • 9H-Xanthen-9-one, 1-hydroxy-3,4,5-trimethoxy-
    • 20848-59-3
    • 23251-63-0
    • 1-hydroxy-3,4,5-trimethoxyxanthone
    • Inchi: 1S/C16H14O6/c1-19-10-6-4-5-8-13(18)12-9(17)7-11(20-2)15(21-3)16(12)22-14(8)10/h4-7,17H,1-3H3
    • InChI Key: VXTZMXABRBBPJM-UHFFFAOYSA-N
    • SMILES: O1C2C(=CC=CC=2C(C2C(=CC(=C(C1=2)OC)OC)O)=O)OC

Computed Properties

  • Exact Mass: 302.07902
  • Monoisotopic Mass: 302.07903816g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 413
  • 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: 3.1
  • Topological Polar Surface Area: 74.2?2

Experimental Properties

  • PSA: 74.22
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