4-Methyl-1,3-cyclopentanedione
4-methylcyclopentane-1,3-dione
Also Known As: 4-methylcyclopentane-1,3-dione|4-Methyl-1,3-cyclopentanedione|1,3-Cyclopentanedione, 4-methyl-|5-Methyl-1,3-cyclopentanedione|4-Methyl-1,3-cyclopentanedione #
CAS: 7180-63-4
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05243 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.05243 |
| Monoisotopic Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 7180-63-4 |
|---|---|
| SMILES | CC1CC(=O)CC1=O |
| InChIKey | LRBRQJWOVMKKCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Biotechnology (25 patents)
Heterocyclic Building Blocks (3 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
4-Methyl-1,3-cyclopentanedione (CAS 7180-63-4), with molecular formula C6H8O2 and molecular weight 112.05243 g/mol. IUPAC: 4-methylcyclopentane-1,3-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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