3-[(5-Methoxy-3-oxo-2,3-dihydro-1-benzofuran-2-yl)methyl]benzoic acid
[CAS# 89139-28-6]

Identification

• Name: 3-[(5-Methoxy-3-oxo-2,3-dihydro-1-benzofuran-2-yl)methyl]benzoic acid
• Synonyms: 3-((2,3-Dihydro-5-methoxy-3-oxo-2-benzofuranyl)methyl)benzoic acid; Benzoic acid, 3-((2,3-dihydro-5-methoxy-3-oxo-2-benzofuranyl)methyl)-; LY 171859
• Molecular Formula: C₁₇H₁₄O₅
• Molecular Weight: 298.29
• CAS Registry Number: 89139-28-6
• SMILES: O=C(O)c1cc(ccc1)CC3Oc2ccc(OC)cc2C3=O
• InChI: 1S/C17H14O5/c1-21-12-5-6-14-13(9-12)16(18)15(22-14)8-10-3-2-4-11(7-10)17(19)20/h2-7,9,15H,8H2,1H3,(H,19,20)
• InChIKey: LQIPQJWNKIFNDL-UHFFFAOYSA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 525.683°C at 760 mmHg (Cal.)
• Flash point: 197.597°C (Cal.)