3-(2-Carboxybenzyl)Isocoumarin
[CAS# 5982-23-0]

Identification

• Name: 3-(2-Carboxybenzyl)Isocoumarin
• Synonyms: 2-[(1-Oxo-3-Isochromenyl)Methyl]Benzoic Acid; 2-[(1-Ketoisochromen-3-Yl)Methyl]Benzoic Acid; Alpha-(1-Oxo-1H-2-Benzopyran-3-Yl)-O-Toluic Acid
• Molecular Formula: C₁₇H₁₂O₄
• Molecular Weight: 280.28
• CAS Registry Number: 5982-23-0
• SMILES: C2=C1C=C(OC(C1=CC=C2)=O)CC3=CC=CC=C3C(=O)O
• InChI: 1S/C17H12O4/c18-16(19)14-7-3-1-5-11(14)9-13-10-12-6-2-4-8-15(12)17(20)21-13/h1-8,10H,9H2,(H,18,19)
• InChIKey: GCFOLLWPQAGLCM-UHFFFAOYSA-N

Properties

• Density: 1.361g/cm³ (Cal.)
• Boiling point: 493.579°C at 760 mmHg (Cal.)
• Flash point: 186.852°C (Cal.)