143231-38-3
Product Name:
Glucobrassicin potassium salt
Formula:
C16H20KN2O9S2*
Synonyms:
3-Indolylmethyl glucosinolate potassium salt
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 486.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 7 |
| Exact Mass | 486.01690402 g/mol |
| Monoisotopic Mass | 486.01690402 g/mol |
| Topological Polar Surface Area | 218 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 693 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |