Empirical Formula of 3-Hydroxy-2-oxopurine (CAS NO.54643-52-6): C5H4N4O2
Molecular Weight: 152.1109
Index of Refraction: 1.908
Density: 2.01 g/cm3
Flash Point: 334 °C
Enthalpy of Vaporization: 97.77 kJ/mol
Boiling Point: 628.6 °C at 760 mmHg
Vapour Pressure: 1.14E-16 mmHg at 25 °C
Structure of 3-Hydroxy-2-oxopurine (CAS NO.54643-52-6):
IUPAC Name: 3-Hydroxy-7H-purin-2-one
Canonical SMILES: C1=NC(=O)N(C2=C1NC=N2)O
InChI: InChI=1S/C5H4N4O2/c10-5-6-1-3-4(9(5)11)8-2-7-3/h1-2,11H,(H,7,8)
InChIKey: KHVYUEUWUXXHEL-UHFFFAOYSA-N
1. | scu-rat TDLo:96 mg/kg/8W-I:ETA | CBINA8 Chemico-Biological Interactions. 25 (1979),369. |
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition 3-Hydroxy-2-oxopurine (CAS NO.54643-52-6) emits acrid smoke and fumes.
3-Hydroxy-2-oxopurine , its cas register number is 54643-52-6. It also can be called 3-Hydroxypurin-2(3H)-one ; and Purin-2(3H)-one, 3-hydroxy- .
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