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1190321-76-6

1190321-76-6 structural image
Product Name: 2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
Formula: C8H5N3O
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

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 159.14 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 159.043261791 g/mol
Monoisotopic Mass 159.043261791 g/mol
Topological Polar Surface Area 65.8 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 254
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