3-[4-(1-Carboxyethyl)Phenyl]-2-Methylpropanoic Acid
[CAS# 15935-54-3]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Ion chromatography reagent
• Name: 3-[4-(1-Carboxyethyl)Phenyl]-2-Methylpropanoic Acid
• Synonyms: 2-(4-(2-CARBOXYLPROPYL)PHENYL)OROPIONIC ACID; CARBOXYIBUPROFEN; IBUPROFEN CARBOXYLIC ACID(MIXTURE OF DIASTEREOMERS)
• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.26
• CAS Registry Number: 15935-54-3
• SMILES: O=C(O)C(c1ccc(cc1)CC(C(=O)O)C)C
• InChI: 1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)
• InChIKey: DIVLBIVDYADZPL-UHFFFAOYSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 416.195°C at 760 mmHg (Cal.)
• Flash point: 219.658°C (Cal.)
• Refractive index: 1.552 (Cal.)