CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid; [ChemSampCo MSDS] |
|---|---|
| Kovats Retention Index | 723.1 718.58 721.6 719.32 719.35 719 720.42 714 723 721.8 723.7 725.7 727.5 719 721 723 725 727 729 726 726.1 724 724 724 740 722 720 724 713.9 717.7 719.5 722 714 724 725 723 726 |
| Chemical Classes | Solvents -> Aliphatics, Saturated (<C12) |
COMPUTED DESCRIPTORS
| Molecular Weight | 112.21 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 112.125200510 g/mol |
| Monoisotopic Mass | 112.125200510 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 82 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |