CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colorless to pale yellow liquid; [Acros Organics MSDS] |
|---|---|
| Boiling Point | 176 °C AT 760 MM HG |
| Solubility | SOL IN WATER; VERY SOL IN ALCOHOL, ETHER |
| Density | 0.9813 AT 20 °C/4 °C |
| Vapor Pressure | 4.94 [mmHg] |
| Chemical Classes | Other Classes -> Carbamic Acid Esters |
COMPUTED DESCRIPTORS
| Molecular Weight | 117.15 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 117.078978594 g/mol |
| Monoisotopic Mass | 117.078978594 g/mol |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 72.8 |
| 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 |