6-(5,5-Dimethyl-2-Oxooxolan-3-Yl)Pyrrolo[3,4-b]Pyridine-5,7-Dione
[CAS# 77694-42-9]

Identification

• Name: 6-(5,5-Dimethyl-2-Oxooxolan-3-Yl)Pyrrolo[3,4-b]Pyridine-5,7-Dione
• Synonyms: 6-(5,5-Dimethyl-2-Oxo-Tetrahydrofuran-3-Yl)Pyrrolo[3,4-B]Pyridine-5,7-Dione; 6-(5,5-Dimethyl-2-Oxo-3-Tetrahydrofuranyl)Pyrrolo[3,4-B]Pyridine-5,7-Dione; 6-(2-Keto-5,5-Dimethyl-Tetrahydrofuran-3-Yl)Pyrrolo[3,4-B]Pyridine-5,7-Quinone
• Molecular Formula: C₁₃H₁₂N₂O₄
• Molecular Weight: 260.25
• CAS Registry Number: 77694-42-9
• SMILES: C3=C2C(=O)N(C1C(OC(C1)(C)C)=O)C(=O)C2=NC=C3
• InChI: 1S/C13H12N2O4/c1-13(2)6-8(12(18)19-13)15-10(16)7-4-3-5-14-9(7)11(15)17/h3-5,8H,6H2,1-2H3
• InChIKey: HHFPUUXKZGIZFR-UHFFFAOYSA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 461.945°C at 760 mmHg (Cal.)
• Flash point: 233.176°C (Cal.)