Cas no 632-77-9 (9,10-Anthracenedione,1,2,5,6-tetrahydroxy-)

9,10-Anthracenedione,1,2,5,6-tetrahydroxy- structure
632-77-9 structure
Product Name:9,10-Anthracenedione,1,2,5,6-tetrahydroxy-
CAS No:632-77-9
MF:C14H8O6
MW:272.20972442627
CID:517808
PubChem ID:69440
Update Time:2025-04-19

9,10-Anthracenedione,1,2,5,6-tetrahydroxy- Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione,1,2,5,6-tetrahydroxy-
    • 1,2,5,6-tetrahydroxyanthracene-9,10-dione
    • 1,2,5,6-tetrahydroxy-9,10-anthracenedione
    • 1,2,5,6-tetrahydroxy-9,10-anthraquinone
    • 1,2,5,6-Tetrahydroxy-anthrachinon
    • 1,2,5,6-tetrahydroxy-anthraquinone
    • 1,2,5,6-Tetrahydroxyanthraquinone
    • 1.2.5.6-Tetraoxy-anthrachinon
    • 1.2.5.8.-tetrahydroxyanthraquinone
    • 1.2.5.8.-Tetraoxyanthrachinon
    • AC1L2BVK
    • AC1Q6J9F
    • CHEBI:37497
    • Chinalizarin
    • CTK5B8425
    • NSC133370
    • SureCN2772226
    • Inchi: 1S/C14H8O6/c15-7-3-1-5-9(13(7)19)12(18)6-2-4-8(16)14(20)10(6)11(5)17/h1-4,15-16,19-20H
    • InChI Key: UIAOMKQPMHYQTQ-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC(=C(C=2C(C2C=CC(=C(C=21)O)O)=O)O)O

Computed Properties

  • Exact Mass: 272.03204
  • Monoisotopic Mass: 272.03208797g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 395
  • 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: 115?2

Experimental Properties

  • Density: 1.4292 (rough estimate)
  • Melting Point: 340°C
  • Boiling Point: 375.27°C (rough estimate)
  • Refractive Index: 1.5230 (estimate)
  • PSA: 115.06
  • LogP: 1.28440

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