(2R,3S,4R,6S)-5-Oxotricyclo[2.2.1.0^2,6]Heptane-3-Carboxylic Acid
[CAS# 180324-27-0]

Identification

• Name: (2R,3S,4R,6S)-5-Oxotricyclo[2.2.1.0^2,6]Heptane-3-Carboxylic Acid
• Synonyms: (1S,2R,3S,4R,6S)-5-oxotricyclo[2.2.1.02,6]heptane-3-carboxylic acid
• Molecular Formula: C₈H₈O₃
• Molecular Weight: 152.15
• CAS Registry Number: 180324-27-0
• SMILES: C1[C@H]2[C@@H]3[C@H]2C(=O)[C@H]1[C@H]3C(=O)O
• InChI: 1S/C8H8O3/c9-7-3-1-2-4(5(2)7)6(3)8(10)11/h2-6H,1H2,(H,10,11)/t2-,3+,4+,5-,6+/m0/s1
• InChIKey: YUOZAHBGIJALKD-SXUWKVJYSA-N

Properties

• Density: 1.602g/cm³ (Cal.)
• Boiling point: 356.434°C at 760 mmHg (Cal.)
• Flash point: 183.556°C (Cal.)
• Refractive index: 1.65 (Cal.)