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420095-74-5

420095-74-5 structural image
Product Name: 2-KETO-3-METHYLBUTYRIC ACID-13C5, 3-D1 SODIUM SALT
Formula: C5H6DNaO3
Synonyms: α-Keto-3-methylbutyric acid-13C5,3-d sodium;α-Ketoisovaleric acid-13C5,3-d sodium salt;2-Ketoisovaleric acid-13C5,3-d sodium salt;3-Methyl-2-oxobutanoic acid-13C5,3-d sodium salt;Ketovaline-13C5,3-d sodium salt
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 143.061 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 143.04606254 g/mol
Monoisotopic Mass 143.04606254 g/mol
Topological Polar Surface Area 57.2 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 119
Isotope Atom Count 5
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes