3-[1-(2-Methoxyphenyl)-2-Oxocyclohexyl]Propanoic Acid
[CAS# 2819-67-2]

Identification

• Name: 3-[1-(2-Methoxyphenyl)-2-Oxocyclohexyl]Propanoic Acid
• Synonyms: 3-[1-(2-Methoxyphenyl)-2-Oxo-Cyclohexyl]Propanoic Acid; 3-[2-Keto-1-(2-Methoxyphenyl)Cyclohexyl]Propionic Acid; 1-(O-Methoxyphenyl)-2-Oxocyclohexanepropionic Acid
• Molecular Formula: C₁₆H₂₀O₄
• Molecular Weight: 276.33
• CAS Registry Number: 2819-67-2
• SMILES: C1=C(C(=CC=C1)C2(C(CCCC2)=O)CCC(=O)O)OC
• InChI: 1S/C16H20O4/c1-20-13-7-3-2-6-12(13)16(11-9-15(18)19)10-5-4-8-14(16)17/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,19)
• InChIKey: MHJVPVLTMGSBKN-UHFFFAOYSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 474.845°C at 760 mmHg (Cal.)
• Flash point: 175.411°C (Cal.)