Cas no 644967-44-2 (Rubianthraquinone)

Rubianthraquinone structure
Rubianthraquinone structure
Product Name:Rubianthraquinone
CAS No:644967-44-2
MF:C16H12O5
MW:284.263484954834
CID:837250
PubChem ID:11044279
Update Time:2025-04-19

Rubianthraquinone Chemical and Physical Properties

Names and Identifiers

    • 9,10-Anthracenedione, 3,6-dihydroxy-1-methoxy-2-methyl-
    • Rubianthraquinone
    • CHEBI:69531
    • Q27137871
    • 644967-44-2
    • AKOS032961994
    • CS-0016744
    • 3,6-dihydroxy-1-methoxy-2-methylanthracene-9,10-dione
    • HY-N1336
    • SCHEMBL16226647
    • [ "" ]
    • DA-57567
    • Inchi: 1S/C16H12O5/c1-7-12(18)6-11-13(16(7)21-2)15(20)9-4-3-8(17)5-10(9)14(11)19/h3-6,17-18H,1-2H3
    • InChI Key: FDRWSVGPMGRFGX-UHFFFAOYSA-N
    • SMILES: O(C)C1C(C)=C(C=C2C(C3C=C(C=CC=3C(C2=1)=O)O)=O)O

Computed Properties

  • Exact Mass: 284.06800
  • Monoisotopic Mass: 284.06847348g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 448
  • 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: 0.627
  • Topological Polar Surface Area: 83.8?2

Experimental Properties

  • Color/Form: Orange powder
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 536.3±50.0 °C at 760 mmHg
  • Flash Point: 205.6±23.6 °C
  • PSA: 83.83000
  • LogP: 2.19020
  • Vapor Pressure: 0.0±1.5 mmHg at 25°C

Rubianthraquinone Security Information

Rubianthraquinone Pricemore >>

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