6-Ethynyl-1,3,5-Cycloheptatriene-1-Carboxylic Acid
[CAS# 174018-23-6]

Identification

• Name: 6-Ethynyl-1,3,5-Cycloheptatriene-1-Carboxylic Acid
• Synonyms: 6-ethynylcyclohepta-1,3,5-trienecarboxylic acid
• Molecular Formula: C₁₀H₈O₂
• Molecular Weight: 160.17
• CAS Registry Number: 174018-23-6
• SMILES: O=C(O)C=1C/C(=C\C=C/C=1)C#C
• InChI: 1S/C10H8O2/c1-2-8-5-3-4-6-9(7-8)10(11)12/h1,3-6H,7H2,(H,11,12)
• InChIKey: PGNORTBTCAZATR-UHFFFAOYSA-N

Properties

• Density: 1.191g/cm³ (Cal.)
• Boiling point: 282.556°C at 760 mmHg (Cal.)
• Flash point: 130.995°C (Cal.)
• Refractive index: 1.584 (Cal.)