1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione


Chemical Name: 1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CAS Number: 65996-50-1
Product Number: AG003EEZ(AGN-PC-0JTFP3)
Synonyms:
MDL No: MFCD08059275
Molecular Formula: C6H5N3O2
Molecular Weight: 151.1228

Identification/Properties


Properties
MP:
>360℃(Solv: water (7732-18-5))
BP:
607.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
151.125g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
151.038g/mol
Monoisotopic Mass:
151.038g/mol
Topological Polar Surface Area:
74A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
216
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


NMR Spectrum


Other Analytical Data


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