4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid
[CAS# 99-23-0]

Identification

• Name: 4,5,6-Trihydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid
• Synonyms: 1,3,6-Cycloheptatriene-1-carboxylic acid, 3,4,6-trihydroxy-5-oxo-; 3,4,6-Trihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid #; Puberulic Acid
• Molecular Formula: C₈H₆O₆
• Molecular Weight: 198.13
• CAS Registry Number: 99-23-0
• SMILES: O=C1/C=C(\C=C(\O)C(\O)=C1\O)C(=O)O
• InChI: 1S/C8H6O6/c9-4-1-3(8(13)14)2-5(10)7(12)6(4)11/h1-2H,(H,13,14)(H3,9,10,11,12)
• InChIKey: RRDGXYZZWSIADF-UHFFFAOYSA-N

Properties

• Density: 2.069g/cm³ (Cal.)
• Boiling point: 206.392°C at 760 mmHg (Cal.)
• Flash point: 92.914°C (Cal.)