Chorismic Acid Barium Salt
[CAS 55508-12-8]

Identification

• Name: Chorismic Acid Barium Salt
• Synonyms: (3R,4R)-3-(1-Carboxyethenoxy)-4-Hydroxy-Cyclohexa-1,5-Diene-1-Carboxylic Acid; (3R,4R)-3-(1-Carboxyethenoxy)-4-Hydroxy-1-Cyclohexa-1,5-Dienecarboxylic Acid; (3R,4R)-4-Hydroxy-3-(3-Hydroxy-3-Oxo-Prop-1-En-2-Yl)Oxy-Cyclohexa-1,5-Diene-1-Carboxylic Acid
• Molecular Formula: C₁₀H₁₀O₆
• Molecular Weight: 226.19
• CAS Registry Number: 55508-12-8
• SMILES: [C@H]1(OC(C(=O)O)=C)[C@H](O)C=CC(=C1)C(=O)O
• InChI: 1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
• InChIKey: WTFXTQVDAKGDEY-HTQZYQBOSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 556.1±50.0°C at 760 mmHg (Cal.)
• Flash point: 225.7±23.6°C (Cal.)

References

• (1): Dubern Jean-Frédéric. Quorum sensing by 2-alkyl-4-quinolones in Pseudomonas aeruginosa and other bacterial species, Molecular BioSystems, 2008