3-Oxo-4-isoindolinecarboxylic acid
[CAS# 935269-27-5]

Identification

• Name: 3-Oxo-4-isoindolinecarboxylic acid
• Synonyms: "1H-Isoindole-4-carboxylic acid, 2,3-dihydro-3-oxo-"; 1H-Isoindole-4-carboxylic acid, 2,3-dihydro-3-oxo-; 2,3-Dihydro-3-oxo-1H-Isoindole-4-carboxylic acid
• Molecular Formula: C₉H₇NO₃
• Molecular Weight: 177.16
• CAS Registry Number: 935269-27-5
• SMILES: C1C2=C(C(=CC=C2)C(=O)O)C(=O)N1
• InChI: 1S/C9H7NO3/c11-8-7-5(4-10-8)2-1-3-6(7)9(12)13/h1-3H,4H2,(H,10,11)(H,12,13)
• InChIKey: SONYZPKBPBFLSS-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 550.4±50.0°C at 760 mmHg (Cal.)
• Flash point: 286.7±30.1°C (Cal.)
• Refractive index: 1.635 (Cal.)

References

• (1): Christopher P Gordon, Nolene Byrne and Adam McCluskey. A facile, protic ionic liquid route to N-substituted 5-hydroxy-4-methyl-3-oxoisoindoline-1-carboxamides and N-substituted 3-oxoisoindoline-4-carboxylic acids, Green Chem., 2010, 12, 1000.