(1R,2S)-2-[2-(3-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid
[CAS# 735274-75-6]

Identification

• Name: (1R,2S)-2-[2-(3-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Synonyms: trans-2-[2-(3-methoxyphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
• Molecular Formula: C₁₆H₂₀O₄
• Molecular Weight: 276.33
• CAS Registry Number: 735274-75-6
• SMILES: O=C(O)[C@@H]2CCCC[C@H]2CC(=O)c1cccc(OC)c1
• InChI: 1S/C16H20O4/c1-20-13-7-4-6-12(9-13)15(17)10-11-5-2-3-8-14(11)16(18)19/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,18,19)/t11-,14+/m0/s1
• InChIKey: LIXSNTJNSWXNPY-SMDDNHRTSA-N

Properties

• Density: 1.153g/cm³ (Cal.)
• Boiling point: 448.209°C at 760 mmHg (Cal.)
• Flash point: 163.996°C (Cal.)
• Refractive index: 1.536 (Cal.)