(11C)Acetoacetic acid
3-oxo(111C)butanoic acid
Also Known As: acetoacetic acid|[11C]Acetoacetate|11C-acetoacetate|(11C)Acetoacetic acid|3-oxobutanoic acid|[11C]Acetoacetic acid|3-Oxobutyric acid C-11|Acetoacetic acid 1-C-11|3-Oxobutanoic-1-11c acid|[11C]ACAC
CAS: 53286-22-9
| Molecular Formula | C4H6O3 |
|---|---|
| Molecular Weight | 101.04313 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.04313 |
| Monoisotopic Mass | 101.04313 |
| Heavy Atoms | 7 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 53286-22-9 |
|---|---|
| SMILES | CC(=O)C[11C](=O)O |
| InChIKey | WDJHALXBUFZDSR-NUTRPMROSA-N |
Product Overview
(11C)Acetoacetic acid (CAS 53286-22-9), with molecular formula C4H6O3 and molecular weight 101.04313 g/mol. IUPAC: 3-oxo(111C)butanoic acid.
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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