Chemical Properties of 4,6-Pyrimidinediol, 5-nitro-, (keto form) (CAS 2164-83-2)

4,6-Pyrimidinediol, 5-nitro-, (keto form)

InChI
InChI=1S/C4H3N3O4/c8-3-2(7(10)11)4(9)6-1-5-3/h1H,(H2,5,6,8,9)
InChI Key
ABTLZAVJDRUDNG-UHFFFAOYSA-N
Formula
C4H3N3O4
SMILES
O=[N+]([O-])c1c(O)ncnc1O
Molecular Weight1
157.08
CAS
2164-83-2
Other Names
  • 5-nitropyrimidine-4,6-diol
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Physical Properties

Property Value Unit Source
ω 0.7547 Relay (1.0) Calculated Property
ΔfG° 55.11 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -243.66 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 88.40 kJ/mol Relay (1.0) Calculated Property
IE 10.07 eV Relay (1.0) Calculated Property
log10WS -2.77 Relay (1.0) Calculated Property
logPoct/wat -0.204 Crippen Calculated Property
McVol 92.580 ml/mol McGowan Calculated Property
Pc 6977.43 kPa Relay (1.0-beta) Calculated Property
Tboil 510.83 K Relay (1.0) Calculated Property
Tc 876.00 K Relay (1.0) Calculated Property
Tfus 476.69 K Relay (1.0) Calculated Property
Vc 0.315 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

4-Pyrimidinol, 6-chloro-5-nitro-. 4-Pyrimidinol, 6-methyl-5-nitro-. 4,6-Pyrimidinediol, 2-amino-5-nitroso-. Pyrimidine, 4,6-dihydroxy-5-nitro, TMS. 4(1H)-Pyrimidinone, 6-hydroxy-. Tris(trimethylsilyl) 5-nitrobarbiturate. 4(1H)-Pyrimidinone, 6-amino-2-methyl-5-nitroso-. 4(1H)-Pyrimidinone, 6-methyl-. 5-Nitrouracil, TMS. 2-Hydroxy-3-nitropyridine. 4-Pyrimidinol, 5-acetamido-6-amino-. Pyrimidine, 5-amino-4,6-dihydroxy, TMS. Pyrimidine, 6-amino-4-hydroxy-5-nitro, TMS. Pyrimido[5,4-e]-as-triazin-5[6h]-one, 1,2-dihydro-. Pyrimidine, 6-oxo-5-acetyl-4-hydroxy-1,6-dihydro-.

Find more compounds similar to 4,6-Pyrimidinediol, 5-nitro-, (keto form).

Sources

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