Cas no 91679-29-7 (9H-Xanthen-9-one, 1,3-dihydroxy-2,4,7-trimethoxy-)

9H-Xanthen-9-one, 1,3-dihydroxy-2,4,7-trimethoxy- structure
91679-29-7 structure
Product Name:9H-Xanthen-9-one, 1,3-dihydroxy-2,4,7-trimethoxy-
CAS No:91679-29-7
MF:C16H14O7
MW:318.278165340424
CID:1970656
PubChem ID:10947079
Update Time:2025-04-21

9H-Xanthen-9-one, 1,3-dihydroxy-2,4,7-trimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 9H-Xanthen-9-one, 1,3-dihydroxy-2,4,7-trimethoxy-
    • 1,3-dihydroxy-2,4,7-trimethoxyxanthen-9-one
    • 91679-29-7
    • DTXSID60449395
    • Inchi: 1S/C16H14O7/c1-20-7-4-5-9-8(6-7)11(17)10-12(18)15(21-2)13(19)16(22-3)14(10)23-9/h4-6,18-19H,1-3H3
    • InChI Key: DDZOJPRABMAJAZ-UHFFFAOYSA-N
    • SMILES: O1C2C=CC(=CC=2C(C2C(=C(C(=C(C1=2)OC)O)OC)O)=O)OC

Computed Properties

  • Exact Mass: 318.07395278g/mol
  • Monoisotopic Mass: 318.07395278g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 442
  • 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: 2.7
  • Topological Polar Surface Area: 94.4?2
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