(1R,4S)-6-(1,3-Benzodioxol-5-Ylmethoxycarbonyl)-7-Oxabicyclo[2.2.1]Heptane-5-Carboxylic Acid
[CAS# 30627-54-4]

Identification

• Name: (1R,4S)-6-(1,3-Benzodioxol-5-Ylmethoxycarbonyl)-7-Oxabicyclo[2.2.1]Heptane-5-Carboxylic Acid
• Synonyms: (1R,4S)-6-(1,3-Benzodioxol-5-Ylmethoxy-Oxomethyl)-7-Oxabicyclo[2.2.1]Heptane-5-Carboxylic Acid; 5-19-02-00544 (Beilstein Handbook Reference); 7-Oxabicyclo(2.2.1)Heptane-2,3-Dicarboxylic Acid, 3,4-Methylenedioxybenzyl Ester, Exo-(Z)-
• Molecular Formula: C₁₆H₁₆O₇
• Molecular Weight: 320.30
• CAS Registry Number: 30627-54-4
• SMILES: [C@H]12C(C([C@H](CC1)O2)C(=O)O)C(=O)OCC3=CC=C4C(=C3)OCO4
• InChI: 1S/C16H16O7/c17-15(18)13-10-3-4-11(23-10)14(13)16(19)20-6-8-1-2-9-12(5-8)22-7-21-9/h1-2,5,10-11,13-14H,3-4,6-7H2,(H,17,18)/t10-,11+,13?,14?/m0/s1
• InChIKey: LUDPSVPQUMAKPK-YWBBTBBSSA-N

Properties

• Density: 1.469g/cm³ (Cal.)
• Boiling point: 498.288°C at 760 mmHg (Cal.)
• Flash point: 186.318°C (Cal.)