CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Yellow solid; [Merck Index] Yellow crystals; [Sigma-Aldrich MSDS] |
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Chemical Classes | Biological Agents -> Plant Toxins |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 427.4 g/mol |
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XLogP3 | -3.1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 2 |
Exact Mass | 427.13795002 g/mol |
Monoisotopic Mass | 427.13795002 g/mol |
Topological Polar Surface Area | 142 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 1050 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 6 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |