4-Pyrimidinecarboxylic acid, hexahydro-2,6-dioxo-, (4S)-


Chemical Name: 4-Pyrimidinecarboxylic acid, hexahydro-2,6-dioxo-, (4S)-
CAS Number: 5988-19-2
Product Number: AG00IAMJ(AGN-PC-0OCZQB)
Synonyms:
MDL No:
Molecular Formula: C5H6N2O4
Molecular Weight: 158.1121

Identification/Properties


Properties
MP:
254-255 °C (dec.);(lit.);
BP:
283.16°C (rough estimate)
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5090 (estimate)
Computed Properties
Molecular Weight:
158.113g/mol
XLogP3:
-1.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
158.033g/mol
Monoisotopic Mass:
158.033g/mol
Topological Polar Surface Area:
95.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
225
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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