| CAS No. | 541-50-4 |
|---|---|
| MDL No. | N/A |
| MF | C4H6O3 |
| MW | 102.09 |
| InChI Key | WDJHALXBUFZDSR-UHFFFAOYSA-N |
| Pack Size | Purity | Price | Availability | Action |
|---|---|---|---|---|
| 1 mg | 99.90% ; | $116 | In Stock | |
| 5 mg | 99.90% ; | $251 | In Stock | |
| 10 mg | 99.90% ; | $374 | In Stock | |
| 25 mg | 99.90% ; | $633 | In Stock | |
| Custom synthesis and bulk supply options are available upon request. | ||||
Acetoacetic acid is a 3-oxo monocarboxylic acid derived from butyric acid by replacing a hydrogen with a 3-oxo group. It functions as a metabolite, a ketone body, and a 3-oxo fatty acid. It is functionally related to butyric acid, serves as the conjugate acid of acetoacetate, and is a tautomer of 3-hydroxy-3-butenoic acid.
| CAS No. | 541-50-4 |
|---|---|
| Product Name | Acetoacetic acid |
| Heavy Atom Count | 7 | Rotatable Bond Count | 2 |
| Atom Stereo Count | 0 | Bond Stereo Count | 0 |
| HBA | 2 | HBD | 1 |
| TPSA | 54.370 Ų | Charge | 0 |
| Exact Mass | 102.03169 | Complexity | 83.11 |
| pKa | 3.556 | XLogP | 0.050 |
