Methyl 1,3,4,6-Cycloheptatetraene-1-Carboxylate
[CAS# 125587-47-5]

Identification

• Name: Methyl 1,3,4,6-Cycloheptatetraene-1-Carboxylate
• Synonyms: methyl cyclohepta-1,3,4,6-tetraenecarboxylate
• Molecular Formula: C₉H₈O₂
• Molecular Weight: 148.16
• CAS Registry Number: 125587-47-5
• SMILES: COC(=O)C1=CC=C=CC=C1
• InChI: 1S/C9H8O2/c1-11-9(10)8-6-4-2-3-5-7-8/h2,4-7H,1H3
• InChIKey: WVVKBKKMWQLKSI-UHFFFAOYSA-N

Properties

• Density: 1.046g/cm³ (Cal.)
• Boiling point: 253.121°C at 760 mmHg (Cal.)
• Flash point: 98.987°C (Cal.)
• Refractive index: 1.52 (Cal.)