1,6-Diphenyl-1,3,5-hexatriene-4'-propionic acid
[CAS# 85125-40-2]

Identification

• Name: 1,6-Diphenyl-1,3,5-hexatriene-4'-propionic acid
• Synonyms: 3-[4-[(1E,3E,5E)-6-Phenylhexa-1,3,5-Trienyl]Phenyl]Propanoic Acid; 3-[4-[(1E,3E,5E)-6-Phenylhexa-1,3,5-Trienyl]Phenyl]Propionic Acid; 3-[4-(6-Phenylhexa-1,3,5-Trienyl)Phenyl]Propionic Acid
• Molecular Formula: C₂₁H₂₀O₂
• Molecular Weight: 304.39
• CAS Registry Number: 85125-40-2
• SMILES: C1=CC(=CC=C1\C=C\C=C\C=C\C2=CC=CC=C2)CCC(O)=O
• InChI: 1S/C21H20O2/c22-21(23)17-16-20-14-12-19(13-15-20)11-5-2-1-4-8-18-9-6-3-7-10-18/h1-15H,16-17H2,(H,22,23)/b2-1+,8-4+,11-5+
• InChIKey: SINKVNIAFSCCOS-HOXLXQKJSA-N

Properties

• Density: 1.128g/cm³ (Cal.)
• Boiling point: 528.375°C at 760 mmHg (Cal.)
• Flash point: 424.769°C (Cal.)