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947502-66-1

947502-66-1 structural image
Product Name: 5-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)-7a-hydroxy-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one
Formula: C18H18FNO3S
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H314:Skin corrosion/irritation
Precautionary Statement Codes P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P310:Immediately call a POISON CENTER or doctor/physician.
P330:Rinse mouth.
P331:Do NOT induce vomiting.
P363:Wash contaminated clothing before reuse.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.

COMPUTED DESCRIPTORS

Molecular Weight 347.4 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 347.09914277 g/mol
Monoisotopic Mass 347.09914277 g/mol
Topological Polar Surface Area 82.9 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 591
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes