Isochorismic Acid
[CAS# 22642-82-6]

Identification

• Name: Isochorismic Acid
• Synonyms: 5-(1-Carboxyethenoxy)-6-Hydroxy-Cyclohexa-1,3-Diene-1-Carboxylic Acid; 5-(1-Carboxyethenoxy)-6-Hydroxy-1-Cyclohexa-1,3-Dienecarboxylic Acid; 6-Hydroxy-5-(3-Hydroxy-3-Oxo-Prop-1-En-2-Yl)Oxy-Cyclohexa-1,3-Diene-1-Carboxylic Acid
• Molecular Formula: C₁₀H₁₀O₆
• Molecular Weight: 226.19
• CAS Registry Number: 22642-82-6
• SMILES: O=C(C1=CC=CC(C1O)OC(C(=O)O)=C)O
• InChI: 1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)
• InChIKey: NTGWPRCCOQCMGE-UHFFFAOYSA-N

Properties

• Density: 1.496g/cm³ (Cal.)
• Boiling point: 558.794°C at 760 mmHg (Cal.)
• Flash point: 226.821°C (Cal.)