2-(4-methylsulfonylphenyl)-3-tetrahydropyran-4-yl-propanoic acid
[CAS# 745053-22-9]

Identification

• Name: 2-(4-methylsulfonylphenyl)-3-tetrahydropyran-4-yl-propanoic acid
• Synonyms: 2-(4-(Methylsulfonyl)phenyl)-3-(tetrahydro-2H-pyran-4-yl)propanoic acid; 2-[4-(Methanesulfonyl)phenyl]-3-(tetrahydropyran-4-yl)propionic acid
• Molecular Formula: C₁₅H₂₀O₅S
• Molecular Weight: 312.38
• CAS Registry Number: 745053-22-9
• SMILES: CS(=O)(=O)c1ccc(cc1)C(CC2CCOCC2)C(O)=O
• InChI: 1S/C15H20O5S/c1-21(18,19)13-4-2-12(3-5-13)14(15(16)17)10-11-6-8-20-9-7-11/h2-5,11,14H,6-10H2,1H3,(H,16,17)
• InChIKey: FRPKQSPLXRXUJF-UHFFFAOYSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 526.339°C at 760 mmHg (Cal.)
• Flash point: 272.121°C (Cal.)
• Refractive index: 1.542 (Cal.)