5-Oxo-1,3,6-Cycloheptatriene-1-Carboxylic Acid
[CAS# 22855-63-6]

Identification

• Name: 5-Oxo-1,3,6-Cycloheptatriene-1-Carboxylic Acid
• Synonyms: 5-oxocyclohepta-1,3,6-trienecarboxylic acid
• Molecular Formula: C₈H₆O₃
• Molecular Weight: 150.13
• CAS Registry Number: 22855-63-6
• SMILES: c1cc(ccc(=O)c1)C(=O)O
• InChI: 1S/C8H6O3/c9-7-3-1-2-6(4-5-7)8(10)11/h1-5H,(H,10,11)
• InChIKey: LDJBJXRAHZSWIB-UHFFFAOYSA-N

Properties

• Density: 1.355g/cm³ (Cal.)
• Boiling point: 311.064°C at 760 mmHg (Cal.)
• Flash point: 156.147°C (Cal.)
• Refractive index: 1.589 (Cal.)