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450394-89-5

450394-89-5 structural image
Product Name: 3-(5,6-DIMETHYL-4-OXO-4H-THIENO[2,3-D]PYRIMIDIN-3-YL)-PROPIONIC ACID
Formula: C11H12N2O3S
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)
GHS07
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
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.

COMPUTED DESCRIPTORS

Molecular Weight 252.29 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 252.05686342 g/mol
Monoisotopic Mass 252.05686342 g/mol
Topological Polar Surface Area 98.2 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 372
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes