(1R,2S,3S,4S)-3-(4-Methylbenzoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
[CAS# 658704-71-3]

Identification

• Name: (1R,2S,3S,4S)-3-(4-Methylbenzoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
• Molecular Formula: C₁₅H₁₆O₄
• Molecular Weight: 260.29
• CAS Registry Number: 658704-71-3
• SMILES: Cc1ccc(cc1)C(=O)C2C3CCC(C2C(=O)O)O3
• InChI: 1S/C15H16O4/c1-8-2-4-9(5-3-8)14(16)12-10-6-7-11(19-10)13(12)15(17)18/h2-5,10-13H,6-7H2,1H3,(H,17,18)/t10-,11+,12+,13+/m0/s1
• InChIKey: XQSHVUSGAKRWTR-UMSGYPCISA-N

Properties

• Density: 1.29g/cm³ (Cal.)
• Boiling point: 462.748°C at 760 mmHg (Cal.)
• Flash point: 176.649°C (Cal.)
• Refractive index: 1.587 (Cal.)