4-Formyl-3,8-Dihydroxy-9-(Hydroxymethyl)-1,6-Dimethyl-11-Oxo-11H-Dibenzo[b,e][1,4]Dioxepin-7-Carboxylic Acid
[CAS# 489-51-0]

Identification

• Name: 4-Formyl-3,8-Dihydroxy-9-(Hydroxymethyl)-1,6-Dimethyl-11-Oxo-11H-Dibenzo[b,e][1,4]Dioxepin-7-Carboxylic Acid
• Synonyms: 10-Formyl-3,9-Dihydroxy-4-(Hydroxymethyl)-1,7-Dimethyl-6-Oxo-Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid; 10-Formyl-3,9-Dihydroxy-4-(Hydroxymethyl)-1,7-Dimethyl-6-Oxo-2-Benzo[B][1,4]Benzodioxepinecarboxylic Acid; 10-Formyl-3,9-Dihydroxy-6-Keto-1,7-Dimethyl-4-Methylol-Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid
• Molecular Formula: C₁₈H₁₄O₉
• Molecular Weight: 374.30
• CAS Registry Number: 489-51-0
• SMILES: C3=C(C(=C2OC1=C(C(=C(C(=C1C)C(=O)O)O)CO)OC(C2=C3C)=O)C=O)O
• InChI: 1S/C18H14O9/c1-6-3-10(21)8(4-19)15-11(6)18(25)27-16-9(5-20)13(22)12(17(23)24)7(2)14(16)26-15/h3-4,20-22H,5H2,1-2H3,(H,23,24)
• InChIKey: VOXMONAUSQZPTP-UHFFFAOYSA-N

Properties

• Density: 1.629g/cm³ (Cal.)
• Boiling point: 670.814°C at 760 mmHg (Cal.)
• Flash point: 246.706°C (Cal.)