1-methyl-2,4-dioxopyrimidine-5-carboxylic acid


Chemical Name: 1-methyl-2,4-dioxopyrimidine-5-carboxylic acid
CAS Number: 14383-42-7
Product Number: AG001IGH(AGN-PC-02IMNJ)
Synonyms:
MDL No:
Molecular Formula: C6H6N2O4
Molecular Weight: 170.1228

Identification/Properties


Properties
MP:
266℃ (decomp)
Form:
Solid
Computed Properties
Molecular Weight:
170.124g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
170.033g/mol
Monoisotopic Mass:
170.033g/mol
Topological Polar Surface Area:
86.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
294
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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