ethyl 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylate


Chemical Name: ethyl 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylate
CAS Number: 52047-16-2
Product Number: AG00DJII(AGN-PC-0JP1OE)
Synonyms:
MDL No:
Molecular Formula: C7H7N3O6
Molecular Weight: 229.1470

Identification/Properties


Computed Properties
Molecular Weight:
229.148g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
229.033g/mol
Monoisotopic Mass:
229.033g/mol
Topological Polar Surface Area:
130A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
407
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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