2,4(1H,3H)-Pyrimidinedione, 1-methyl-5-nitro-


Chemical Name: 2,4(1H,3H)-Pyrimidinedione, 1-methyl-5-nitro-
CAS Number: 28495-88-7
Product Number: AG002VJ6(AGN-PC-0KKKMP)
Synonyms:
MDL No:
Molecular Formula: C5H5N3O4
Molecular Weight: 171.1109

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
171.112g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
171.028g/mol
Monoisotopic Mass:
171.028g/mol
Topological Polar Surface Area:
95.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
290
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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