(1E,3Z,5E,7Z,9E,11Z)-1,3,5,7,9,11-Cyclododecahexaene
[CAS# 3227-77-8]

Identification

• Name: (1E,3Z,5E,7Z,9E,11Z)-1,3,5,7,9,11-Cyclododecahexaene
• Synonyms: [12]annulene
• Molecular Formula: C₁₂H₁₂
• Molecular Weight: 156.22
• CAS Registry Number: 3227-77-8
• SMILES: C\1=C/C=C\C=C\C=C/C=C/C=C/1
• InChI: 1S/C12H12/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H/b2-1-,3-1-,4-2+,5-3+,6-4+,7-5+,8-6-,9-7-,10-8-,11-9-,12-10+,12-11+
• InChIKey: KWULAWFQRPFWEH-FWEBNODZSA-N

Properties

• Density: 0.905g/cm³ (Cal.)
• Boiling point: 281.532°C at 760 mmHg (Cal.)
• Flash point: 100.223°C (Cal.)

References

• (1): Arkadiusz Ciesielski, Tadeusz M. Krygowski, Michał K. Cyrański and Alexandru T. Balaban. Defining rules of aromaticity: a unified approach to the Hückel, Clar and Randić concepts, Phys. Chem. Chem. Phys., 2011, 13, 3737.