4-(5,7-Dioxo-5,7-Dihydro-6H-Pyrrolo[3,4-b]Pyridin-6-Yl)Benzoic Acid
[CAS# 37458-42-7]

Identification

• Name: 4-(5,7-Dioxo-5,7-Dihydro-6H-Pyrrolo[3,4-b]Pyridin-6-Yl)Benzoic Acid
• Synonyms: 4-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-benzoic acid; 4-{5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}benzoic acid; benzoic acid, 4-(5,7-dihydro-5,7-dioxo-6H-pyrrolo[3,4-b]pyridin-6-yl)
• Molecular Formula: C₁₄H₈N₂O₄
• Molecular Weight: 268.22
• CAS Registry Number: 37458-42-7
• SMILES: C1=CC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)N=C1
• InChI: 1S/C14H8N2O4/c17-12-10-2-1-7-15-11(10)13(18)16(12)9-5-3-8(4-6-9)14(19)20/h1-7H,(H,19,20)
• InChIKey: AKJUQGDIUAGMCB-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 552.8±56.0°C at 760 mmHg (Cal.)
• Flash point: 288.1±31.8°C (Cal.)