2-(3-Methyl-6-Oxo-5H-Benzo[b][1]Benzoxepin-8-Yl)Propanoic Acid
[CAS# 72619-34-2]

Identification

• Name: 2-(3-Methyl-6-Oxo-5H-Benzo[b][1]Benzoxepin-8-Yl)Propanoic Acid
• Synonyms: 2-(6-Keto-3-Methyl-5H-Benzo[B][1]Benzoxepin-8-Yl)Propionic Acid; Dl-2-(8-Methyl-10,11-Dihydro-11-Oxodibenz(B,F)Oxepin-2-Yl)Propionic Acid; Bermoprofen [Inn]
• Molecular Formula: C₁₈H₁₆O₄
• Molecular Weight: 296.32
• CAS Registry Number: 72619-34-2 (78499-27-1)
• SMILES: C1=C(C(C(O)=O)C)C=CC2=C1C(CC3=C(O2)C=CC(=C3)C)=O
• InChI: 1S/C18H16O4/c1-10-3-5-16-13(7-10)9-15(19)14-8-12(11(2)18(20)21)4-6-17(14)22-16/h3-8,11H,9H2,1-2H3,(H,20,21)
• InChIKey: REHLODZXMGOGQP-UHFFFAOYSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 525.127°C at 760 mmHg (Cal.)
• Flash point: 195.325°C (Cal.)