4-Methyl-1,3,6-Cycloheptatriene-1-Carboxylic Acid
[CAS# 21297-56-3]

Identification

• Name: 4-Methyl-1,3,6-Cycloheptatriene-1-Carboxylic Acid
• Synonyms: 4-methylcyclohepta-1,3,6-trienecarboxylic acid
• Molecular Formula: C₉H₁₀O₂
• Molecular Weight: 150.17
• CAS Registry Number: 21297-56-3
• SMILES: CC1=CC=C(C=CC1)C(=O)O
• InChI: 1S/C9H10O2/c1-7-3-2-4-8(6-5-7)9(10)11/h2,4-6H,3H2,1H3,(H,10,11)
• InChIKey: FITDIVULGGFZSV-UHFFFAOYSA-N

Properties

• Density: 1.135g/cm³ (Cal.)
• Boiling point: 294.667°C at 760 mmHg (Cal.)
• Flash point: 134.903°C (Cal.)
• Refractive index: 1.546 (Cal.)