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5900-45-8

5900-45-8 structural image
Product Name: 2-[5-Cyano-6-methyl-2,4-dioxo-3,4-dihydro-(2H)-pyrimidin-1-yl]acetic acid
Formula: C8H7N3O4
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 209.16 g/mol
XLogP3 -0.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 209.04365571 g/mol
Monoisotopic Mass 209.04365571 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 428
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