5-Anilino-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-oxopentanoic acid hydrate
[CAS# 52604-91-8]

Identification

• Name: 5-Anilino-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-5-oxopentanoic acid hydrate
• Synonyms: Fr-0261; Sbb007750
• Molecular Formula: C₁₉H₁₈N₂O₆
• Molecular Weight: 370.36
• CAS Registry Number: 52604-91-8
• SMILES: C1=CC=CC2=C1C(=O)N(C2=O)C(C(=O)O)CCC(=O)NC3=CC=CC=C3.O
• InChI: 1S/C19H16N2O5.H2O/c22-16(20-12-6-2-1-3-7-12)11-10-15(19(25)26)21-17(23)13-8-4-5-9-14(13)18(21)24;/h1-9,15H,10-11H2,(H,20,22)(H,25,26);1H2
• InChIKey: VVINEXJPKPLCII-UHFFFAOYSA-N

Properties

• Boiling point: 716.8°C at 760 mmHg (Cal.)
• Flash point: 387.3°C (Cal.)