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17682-70-1

17682-70-1 structural image
Product Name: Diacetone L-sorbose
Formula: C12H20O6
Synonyms: 2,3:4,6-Bis-O-(1-methylethylidene)-α-L-sorbofuranose;2,3:4,6-Di-O-isopropylidene-L-sorbose;NSC 23815;Sorbose diacetonide
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
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 260.28 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 260.12598835 g/mol
Monoisotopic Mass 260.12598835 g/mol
Topological Polar Surface Area 66.4 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 355
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes