Cas no 872881-76-0 (9H-Xanthen-9-one, 3-hydroxy-4,6-dimethoxy-)

9H-Xanthen-9-one, 3-hydroxy-4,6-dimethoxy- structure
872881-76-0 structure
Product Name:9H-Xanthen-9-one, 3-hydroxy-4,6-dimethoxy-
CAS No:872881-76-0
MF:C15H12O5
MW:272.252784729004
CID:657944
PubChem ID:66607162
Update Time:2025-04-19

9H-Xanthen-9-one, 3-hydroxy-4,6-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 9H-Xanthen-9-one, 3-hydroxy-4,6-dimethoxy-
    • 3-hydroxy-4,6-dimethoxyxanthen-9-one
    • DTXSID80735429
    • 3-HYDROXY-4,6-DIMETHOXY-9H-XANTHEN-9-ONE
    • 872881-76-0
    • SCHEMBL151859
    • Inchi: 1S/C15H12O5/c1-18-8-3-4-9-12(7-8)20-14-10(13(9)17)5-6-11(16)15(14)19-2/h3-7,16H,1-2H3
    • InChI Key: IBSCKEWUTXBPBJ-UHFFFAOYSA-N
    • SMILES: O1C2C=C(C=CC=2C(C2C=CC(=C(C1=2)OC)O)=O)OC

Computed Properties

  • Exact Mass: 272.06847348g/mol
  • Monoisotopic Mass: 272.06847348g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 371
  • 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: 2.5
  • Topological Polar Surface Area: 65?2
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