4-(1,3,5-Cycloheptatrien-1-Yl)-1,2-Benzenediol
[CAS# 16235-31-7]

Identification

• Name: 4-(1,3,5-Cycloheptatrien-1-Yl)-1,2-Benzenediol
• Synonyms: 4-(cyclohepta-1,3,5-trien-1-yl)benzene-1,2-diol
• Molecular Formula: C₁₃H₁₂O₂
• Molecular Weight: 200.23
• CAS Registry Number: 16235-31-7
• SMILES: c1cc(c(cc1C2=CC=CC=CC2)O)O
• InChI: 1S/C13H12O2/c14-12-8-7-11(9-13(12)15)10-5-3-1-2-4-6-10/h1-5,7-9,14-15H,6H2
• InChIKey: WTUDGKZJCWCMDK-UHFFFAOYSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 384.748°C at 760 mmHg (Cal.)
• Flash point: 189.937°C (Cal.)
• Refractive index: 1.647 (Cal.)