4-(1,3,6-Cycloheptatrien-1-Yl)-1,2-Benzenediol
[CAS# 16235-30-6]

Identification

• Name: 4-(1,3,6-Cycloheptatrien-1-Yl)-1,2-Benzenediol
• Synonyms: 4-(cyclohepta-1,3,6-trien-1-yl)benzene-1,2-diol
• Molecular Formula: C₁₃H₁₂O₂
• Molecular Weight: 200.23
• CAS Registry Number: 16235-30-6
• SMILES: c1cc(c(cc1C2=CC=CCC=C2)O)O
• InChI: 1S/C13H12O2/c14-12-8-7-11(9-13(12)15)10-5-3-1-2-4-6-10/h1,3-9,14-15H,2H2
• InChIKey: TYMDYIIBVLEWHU-UHFFFAOYSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 397.73°C at 760 mmHg (Cal.)
• Flash point: 197.355°C (Cal.)
• Refractive index: 1.647 (Cal.)