cis-1,4-Diethynyl-2,5-Cyclohexadiene-1,4-Diol
[CAS# 544706-69-6]

Identification

• Name: cis-1,4-Diethynyl-2,5-Cyclohexadiene-1,4-Diol
• Synonyms: (1s,4s)-1,4-diethynylcyclohexa-2,5-diene-1,4-diol
• Molecular Formula: C₁₀H₈O₂
• Molecular Weight: 160.17
• CAS Registry Number: 544706-69-6
• SMILES: C#C[C@@]\1(O)/C=C\[C@](O)(/C=C/1)C#C
• InChI: 1S/C10H8O2/c1-3-9(11)5-7-10(12,4-2)8-6-9/h1-2,5-8,11-12H/t9-,10+
• InChIKey: YBKCWUWWJGMVKM-AOOOYVTPSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 286.92°C at 760 mmHg (Cal.)
• Flash point: 138.968°C (Cal.)
• Refractive index: 1.619 (Cal.)

References

• (1): A. Bandyopadhyay, B. Varghese and S. Sankararaman. (Z)-3,6-Diethynyl-3,6-dihydroxycyclohexa-1,4-diene, Acta Cryst. (2004). E60, o2247-o2248