1,4,5,8-Tetrahydroxy-2-Methyl-9,10-Anthracenedione
[CAS# 476-43-7]

Identification

• Name: 1,4,5,8-Tetrahydroxy-2-Methyl-9,10-Anthracenedione
• Synonyms: 1,4,5,8-Tetrahydroxy-2-Methyl-Anthracene-9,10-Dione; 1,4,5,8-Tetrahydroxy-2-Methyl-9,10-Anthraquinone; Nsc114343
• Molecular Formula: C₁₅H₁₀O₆
• Molecular Weight: 286.24
• CAS Registry Number: 476-43-7
• SMILES: C1=C(C(=C2C(=C1O)C(C3=C(C2=O)C(=CC=C3O)O)=O)O)C
• InChI: 1S/C15H10O6/c1-5-4-8(18)11-12(13(5)19)15(21)10-7(17)3-2-6(16)9(10)14(11)20/h2-4,16-19H,1H3
• InChIKey: NFQXCHAJWVRYND-UHFFFAOYSA-N

Properties

• Density: 1.693g/cm³ (Cal.)
• Boiling point: 579.838°C at 760 mmHg (Cal.)
• Flash point: 318.517°C (Cal.)

References

• (1): Assante Gemma, Locci Romano, Camarda Lorenzo, Merlini Lucio, Nasini Gianluca. Screening of the genus Cercospora for secondary metabolites☆, Phytochemistry, 1977