CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | White solid; [ICSC] White powder; [Sigma-Aldrich MSDS] |
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Color/Form | White plates |
Melting Point | 89 °C |
Solubility | Sol in ether /Dihydrate/ |
Autoignition Temperature | 244 °C |
Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides and carbon monoxide/. |
Other Experimental Properties | Crystals; very soluble in water or alcohol. Specific optical rotation: +26 deg at 20 °C/D (c= 10); mp: 90 °C /Dihydrate/ |
Chemical Classes | Biological Agents -> Plant Toxins |
COMPUTED DESCRIPTORS
Molecular Weight | 462.4 g/mol |
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Hydrogen Bond Donor Count | 8 |
Hydrogen Bond Acceptor Count | 14 |
Rotatable Bond Count | 7 |
Exact Mass | 462.14857427 g/mol |
Monoisotopic Mass | 462.14857427 g/mol |
Topological Polar Surface Area | 246 Ų |
Heavy Atom Count | 32 |
Formal Charge | 0 |
Complexity | 281 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 5 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 3 |
Compound Is Canonicalized | Yes |