Isogentisin
[CAS# 491-64-5]

Identification

• Name: Isogentisin
• Synonyms: 1,3-Dihydroxy-7-Methoxy-Xanthen-9-One; 1,3-Dihydroxy-7-Methoxy-9-Xanthenone; 1,3-Dihydroxy-7-Methoxy-Xanthone
• Molecular Formula: C₁₄H₁₀O₅
• Molecular Weight: 258.23
• CAS Registry Number: 491-64-5
• SMILES: C1=C(O)C=C(C2=C1OC3=C(C2=O)C=C(OC)C=C3)O
• InChI: 1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3
• InChIKey: FVIYCYAHKMJVJK-UHFFFAOYSA-N

Properties

• Density: 1.48g/cm³ (Cal.)
• Boiling point: 519.358°C at 760 mmHg (Cal.)
• Flash point: 204.99°C (Cal.)

References

• (1): Ivana Radosavljevic Evans, Judith A. K. Howard, Katarina Savikin-Fodulovic and Nebojsa Menkovic . Isogentisin (1,3-dihydroxy-7-methoxyxanthone) , Acta Cryst (2004). E60, o1557-o1559 Â Â