Cas no 476-56-2 (9,10-Anthracenedione,1,4,5-trihydroxy-2-methyl-)

9,10-Anthracenedione,1,4,5-trihydroxy-2-methyl- structure
476-56-2 structure
Product Name:9,10-Anthracenedione,1,4,5-trihydroxy-2-methyl-
CAS No:476-56-2
MF:C15H10O5
MW:270.236904621124
CID:329832
PubChem ID:10151
Update Time:2025-04-19

9,10-Anthracenedione,1,4,5-trihydroxy-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione,1,4,5-trihydroxy-2-methyl-
    • ISLANDICIN
    • ISLANDICIN(P)
    • 1,4,5-trihydroxy-2-methyl-10-anthracenedione
    • 1,4,5-Trihydroxy-2-methyl-9,10-anthrachinon
    • 1,4,5-trihydroxy-2-methyl-9,10-anthraquinone
    • 1,4,5-Trihydroxy-2-methyl-anthrachinon
    • 1,4,5-trihydroxy-2-methyl-anthraquinon
    • 1,4,5-trihydroxy-2-methyl-anthraquinone
    • 1,4,8-TRIHYDROXY-3-METHYLANTHRAQUINONE
    • 1,4,8-Trihydroxy-3-methylanthraquinone,Islandicin
    • 2-methyl-5-hydroxyquinizarin
    • 3-METHYL-1,4,8-TRIHYDROXYANTHRAQUINONE
    • FUNICULOSIN
    • NSC 264955
    • CHEMBL477724
    • ISLANDIN
    • 1,4,5-trihydroxy-2-methyl-9,10-dihydroanthracene-9,10-dione
    • DTXSID70197214
    • 4-08-00-03572 (Beilstein Handbook Reference)
    • NCI60_002123
    • 1,4,5-Trihydroxy-2-methylanthra-9,10-quinone #
    • EINECS 207-506-2
    • Q27149783
    • 476-56-2
    • Rhodomycin
    • 1,4,5-Trihydroxy-2-methylanthraquinone
    • CHEBI:80733
    • 1,4,5-Trihydroxy-2-methyl-9,10-anthracenedione
    • NS00031712
    • NSC264955
    • BRN 2059061
    • UNII-VVJ2ULR2M5
    • Funiculosin (anthraquinone)
    • VVJ2ULR2M5
    • Anthraquinone,4,5-trihydroxy-2-methyl-
    • 1,4,5-Trihydroxy-2-methylanthracene-9,10-dione
    • 9,10-Anthracenedione, 1,4,5-trihydroxy-2-methyl-
    • CCRIS 3476
    • 1,4,5-trihydroxy-2-methyl-anthracene-9,10-dione
    • FHFHNVHRVKQQHN-UHFFFAOYSA-N
    • ANTHRAQUINONE, 1,4,5-TRIHYDROXY-2-METHYL-
    • FT-0603404
    • 1,4,5-Trihydroxy-2-methylanthra-9,10-quinone
    • 9, 1,4,5-trihydroxy-2-methyl-
    • SCHEMBL9172900
    • Rhodomycelin
    • Funiculosin (VAN)
    • NSC-264955
    • Inchi： 1S/C15H10O5/c1-6-5-9(17)11-12(13(6)18)14(19)7-3-2-4-8(16)10(7)15(11)20/h2-5,16-18H,1H3
    • InChI Key： FHFHNVHRVKQQHN-UHFFFAOYSA-N
    • SMILES： OC1=C(C)C=C(C2C(C3C(=CC=CC=3C(C=21)=O)O)=O)O

Computed Properties

  • Exact Mass: 270.05300
  • Monoisotopic Mass: 270.053
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 434
  • 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: 94.8A^2
  • XLogP3: 3.3

Experimental Properties

  • Density: 1.2319 (rough estimate)
  • Boiling Point: 333.35°C (rough estimate)
  • Flash Point: 288.8 °C
  • Refractive Index: 1.6000 (estimate)
  • PSA: 94.83000
  • LogP: 1.88720

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