245550-58-7
Product Name:
Glucobrassicanapin potassium salt
Formula:
C12H22KNO9S2
Synonyms:
4-Pentenylglucosinolate 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 |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
Molecular Weight | 425.5 g/mol |
---|---|
Hydrogen Bond Donor Count | 4 |
Hydrogen Bond Acceptor Count | 11 |
Rotatable Bond Count | 9 |
Exact Mass | 425.02165505 g/mol |
Monoisotopic Mass | 425.02165505 g/mol |
Topological Polar Surface Area | 203 Ų |
Heavy Atom Count | 25 |
Formal Charge | 0 |
Complexity | 539 |
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 |