3-Methyl-2-Cyclopenten-1-One

• CAS: 2758-18-1
• Catalog Number: ACM2758181
• Category: Other Products
• Molecular Weight: 96.13
• Molecular Formula: C6H8O
• Synonyms: 1-Methyl-1-cyclopenten-3-one
• IUPAC Name: 3-Methylcyclopent-2-en-1-one
• Canonical SMILES: CC1=CC(=O)CC1
• InChI: InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3
• InChI Key: CHCCBPDEADMNCI-UHFFFAOYSA-N
• Boiling Point: 74 °C
• Melting Point: 3-5 °C
• Flash Point: 150 °F
• Density: 0.971 g/mL at 25 °C(lit.)
• Solubility: Soluble in water; soluble in oil
• Exact Mass: 96.057514874
• Monoisotopic Mass: 96.057514874
• Physical State: Liquid
• Refractive Index: n20/D 1.488(lit.)
• Storage Conditions: 2-8 °C
• Topological Polar Surface Area: 17.1 Ų