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496-76-4

496-76-4 structural image
Product Name: ISOBARBITURIC ACID
Formula: C4H4N2O3
Synonyms: 2,4,5-Trihydroxypyrimidine;5-Hydroxyuracil;Fluorouracil Impurity B (PhEur);Isobarbituric acid
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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 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 128.09 g/mol
XLogP3 -1.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 128.02219199 g/mol
Monoisotopic Mass 128.02219199 g/mol
Topological Polar Surface Area 75.3 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 186
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