(1S,2R)-3-Ethynyl-3,5-Cyclohexadiene-1,2-Diol
[CAS# 114763-29-0]

Identification

• Name: (1S,2R)-3-Ethynyl-3,5-Cyclohexadiene-1,2-Diol
• Synonyms: (1S,2R)-3-ethynylcyclohexa-3,5-diene-1,2-diol
• Molecular Formula: C₈H₈O₂
• Molecular Weight: 136.15
• CAS Registry Number: 114763-29-0
• SMILES: C#CC1=CC=C[C@@H]([C@@H]1O)O
• InChI: 1S/C8H8O2/c1-2-6-4-3-5-7(9)8(6)10/h1,3-5,7-10H/t7-,8+/m0/s1
• InChIKey: AMBAZSMCJICDFS-JGVFFNPUSA-N

Properties

• Density: 1.237g/cm³ (Cal.)
• Boiling point: 259.689°C at 760 mmHg (Cal.)
• Flash point: 126.463°C (Cal.)
• Refractive index: 1.596 (Cal.)