Ethyl Acetoacetate
Chemical Information
Ethyl acetoacetate is an ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol. It has a role as an antibacterial agent, a flavouring agent and a plant metabolite. It is functionally related to an acetoacetic acid.
| CAS Number | 141-97-9 |
| PubChem CID | 8868 |
| IUPAC Name | ethyl 3-oxobutanoate |
| Molecular Formula | C6H10O3 |
| Molecular Weight | 130.14 |
| XLogP | 0.2 |
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 117 |
| Property | Value |
|---|---|
| Molecular Weight | 130.14 |
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 130.062994177 |
| Monoisotopic Mass | 130.062994177 |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 117 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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