CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow solid; [Merck Index] |
|---|---|
| Color/Form | Yellow plates from methanol + water |
| Melting Point | 280-284 °C |
| Optical Rotation | Needles from methanol + ether, mp 151-152 °C. Specific optical rotation at 22 °C for D (sodium) line = +36 deg (c=2.0) /Methyl ester hydrochloride/ |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitric oxides/. |
| Chemical Classes | Biological Agents -> Plant Toxins |
COMPUTED DESCRIPTORS
| Molecular Weight | 141.17 g/mol |
|---|---|
| XLogP3 | -2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 141.078978594 g/mol |
| Monoisotopic Mass | 141.078978594 g/mol |
| Topological Polar Surface Area | 63.3 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 176 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |