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110952-70-0

110952-70-0 structural image
Product Name: (+/-)-COTININE-D3
Formula: C10H9D3N2O
Synonyms: (+/-)-Cotinine-d3 solution;1-(Methyl-d3)-5-(3-pyridinyl)-2-pyrrolidinone;Deuterated (±)-cotinine solution
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
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.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 179.23 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 179.113793248 g/mol
Monoisotopic Mass 179.113793248 g/mol
Topological Polar Surface Area 33.2 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 205
Isotope Atom Count 3
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes