CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear liquid with an ester-like odor; [MSDSonline] |
|---|---|
| Kovats Retention Index | 722 725 726 727 |
| Chemical Classes | Other Classes -> Esters, Other |
COMPUTED DESCRIPTORS
| Molecular Weight | 114.14 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 114.068079557 g/mol |
| Monoisotopic Mass | 114.068079557 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 94.7 |
| 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 |