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245550-58-7

245550-58-7 structural image
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