3-Methyl-1,2-cyclopentanedione

• CAS: 765-70-8
• Catalog Number: ACM765708
• Category: Other Products
• Molecular Weight: 112.13
• Molecular Formula: C₆H₈O₂
• Synonyms: 2-Hydroxy-5-methyl-2-cyclopenten-1-one
• IUPAC Name: 3-Methylcyclopentane-1,2-dione
• Canonical SMILES: CC1CCC(=O)C1=O
• InChI: InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3
• InChI Key: OACYKCIZDVVNJL-UHFFFAOYSA-N
• Boiling Point: 170.05 °C
• Melting Point: 104-108 °C
• Flash Point: 100 °C
• Density: 1.0795 g/mL at 25 °C(lit.)
• Exact Mass: 112.052429494
• Monoisotopic Mass: 112.052429494
• Physical State: Crystalline powder
• Refractive Index: n20/D 1.455(lit.)
• Storage Conditions: Below +30 °C
• Topological Polar Surface Area: 34.1 Ų