Cas no 162473-22-5 (9H-Xanthen-9-one,1,4,5-trihydroxy-)

9H-Xanthen-9-one,1,4,5-trihydroxy- structure
162473-22-5 structure
Product Name:9H-Xanthen-9-one,1,4,5-trihydroxy-
CAS No:162473-22-5
MF:C13H8O5
MW:244.199624061584
CID:98039
PubChem ID:9916414
Update Time:2025-04-18

9H-Xanthen-9-one,1,4,5-trihydroxy- Chemical and Physical Properties

Names and Identifiers

    • 9H-Xanthen-9-one,1,4,5-trihydroxy-
    • 1,4,5-Trihydroxy-9H-xanthen-9-one
    • 1,4,5-Trihydroxyxanthone
    • [ "1", "4", "5-Trihydroxyxanthone" ]
    • Subelliptene G
    • Subelliptenone G
    • 1
    • SCHEMBL8958340
    • CS-0016489
    • FS-10448
    • HY-N1197
    • CHEMBL4081488
    • AKOS032948664
    • 162473-22-5
    • 1,4,5-trihydroxyxanthen-9-one
    • BDBM50268299
    • DA-59808
    • Inchi： 1S/C13H8O5/c14-7-4-5-9(16)13-10(7)11(17)6-2-1-3-8(15)12(6)18-13/h1-5,14-16H
    • InChI Key： HFSVZCUBASBXKP-UHFFFAOYSA-N
    • SMILES： O1C2C(=CC=CC=2C(C2C(=CC=C(C1=2)O)O)=O)O

Computed Properties

  • Exact Mass: 244.03700
  • Monoisotopic Mass: 244.037
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 344
  • 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
  • Topological Polar Surface Area: 87A^2
  • XLogP3: 2.4

Experimental Properties

  • Color/Form: Yellow powder
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 490.3±45.0 °C at 760 mmHg
  • Flash Point: 196.9±22.2 °C
  • PSA: 90.90000
  • LogP: 2.06300
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

9H-Xanthen-9-one,1,4,5-trihydroxy- Security Information

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