CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Sigma-Aldrich MSDS] |
|---|---|
| Kovats Retention Index | 985 |
| Chemical Classes | Other Classes -> Esters, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 130.14 g/mol |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 130.062994177 g/mol |
| Monoisotopic Mass | 130.062994177 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 118 |
| 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 |
PRODUCT INTRODUCTION
description
3-oxobutyl acetate is an acetate ester that is butyl acetate substituted by an oxo group at position 3. It has a role as a metabolite. It is functionally related to a butyl acetate.