CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Liquid |
|---|---|
| Boiling Point | 151 °C |
| Melting Point | -43.5 °C |
| Solubility | Slightly soluble in water |
| Density | 1.2000 g/cu cm at 25 °C |
| LogP | log Kow = 1.28 |
| Dissociation Constants | pKa = 3.84 (conjugate acid) |
COMPUTED DESCRIPTORS
| Molecular Weight | 113.54 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 113.0032268 g/mol |
| Monoisotopic Mass | 113.0032268 g/mol |
| Topological Polar Surface Area | 12.9 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 50 |
| 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 |