5900-45-8
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 |