Trimethyl 4,5-Dioxo-1H-Pyrrolo[5,4-f]Quinoline-2,7,9-Tricarboxylate
[CAS# 74447-88-4]

Identification

• Name: Trimethyl 4,5-Dioxo-1H-Pyrrolo[5,4-f]Quinoline-2,7,9-Tricarboxylate
• Synonyms: 4,5-Dioxo-1H-Pyrrolo[5,4-F]Quinoline-2,7,9-Tricarboxylic Acid Trimethyl Ester; 4,5-Diketo-1H-Pyrrolo[5,4-F]Quinoline-2,7,9-Tricarboxylic Acid Trimethyl Ester; Pqq Trimethyl Ester
• Molecular Formula: C₁₇H₁₂N₂O₈
• Molecular Weight: 372.29
• CAS Registry Number: 74447-88-4
• SMILES: C1=C(N=C2C(=C1C(=O)OC)C3=C(C(C2=O)=O)C=C([NH]3)C(=O)OC)C(=O)OC
• InChI: 1S/C17H12N2O8/c1-25-15(22)6-4-8(16(23)26-2)19-12-10(6)11-7(13(20)14(12)21)5-9(18-11)17(24)27-3/h4-5,18H,1-3H3
• InChIKey: IYEWQFSKJDXIPI-UHFFFAOYSA-N

Properties

• Density: 1.524g/cm³ (Cal.)
• Boiling point: 652.707°C at 760 mmHg (Cal.)
• Flash point: 348.545°C (Cal.)