4-Acetylbutyric acid
5-oxohexanoic acid
Also Known As: 4-Acetylbutyric acid, 5-OXOHEXANOIC ACID, 5-Ketohexanoic acid, Glurate, 5-Oxohexanoate, 5-Ketocaproic acid, Hexanoic acid, 5-oxo-, 5-oxocaproic acid, 5-oxo-hexanoic acid, 4-Acetylbutyricacid, 5-ketohexanoate, 5-ketocaproate, g-Acetylbutyrate, 5-oxocaproate, 5-keto-n-caproic acid
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06299 g/mol |
| LogP | 0.83 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 103 |
Chemical Identifiers
| CAS Number | 3128-06-1 |
|---|---|
| SMILES | CC(=O)CCCC(=O)O |
Product Overview
4-Acetylbutyric acid (CAS 3128-06-1), with molecular formula C6H10O3 and molecular weight 130.06299 g/mol. IUPAC: 5-oxohexanoic acid.
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