CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White to off-white powder; [Acros Organics MSDS] |
|---|---|
| Kovats Retention Index | 2676.4 2676.7 |
| Chemical Classes | Plastics & Rubber -> Phthalate Esters |
COMPUTED DESCRIPTORS
| Molecular Weight | 318.3 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 318.08920892 g/mol |
| Monoisotopic Mass | 318.08920892 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 383 |
| 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 |