7-Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid
[CAS# 62059-43-2]

Identification

• Name: 7-Oxabicyclo[2.2.1]Heptane-2,3-Dicarboxylic Acid
• Synonyms: (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid; (1R,2S,3S,4S)-7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid; 1, 2-Benzenedicarboxylic acid, hexahydro-3,6-endo-oxy-
• Molecular Formula: C₈H₁₀O₅
• Molecular Weight: 186.16
• CAS Registry Number: 62059-43-2
• SMILES: C1CC2C(C(C1O2)C(=O)O)C(=O)O
• InChI: 1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)
• InChIKey: GXEKYRXVRROBEV-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 447.8±40.0°C at 760 mmHg (Cal.)
• Flash point: 190.5±20.8°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493