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8-Oxyguanine
[CAS# 82014-86-6]

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Identification
Name 8-Oxyguanine
Synonyms 2-Amino-3H-Purine-6,8-Quinone; Chebi:44605; 8-Oxoguanine
Molecular Structure CAS#: 82014-86-6, 8-Oxyguanine
Molecular Formula C5H3N5O2
Molecular Weight 165.11
CAS Registry Number 82014-86-6
SMILES O=C1N=C(NC2=NC(=O)N=C12)N
InChI 1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12)
InChIKey UBKVUFQGVWHZIR-UHFFFAOYSA-N
Properties
Density 2.495g/cm3 (Cal.)
Boiling point 327.691°C at 760 mmHg (Cal.)
Flash point 151.982°C (Cal.)
References
(1) Davis Jeffery T.. Supramolecular architectures generated by self-assembly of guanosine derivatives, Chemical Society Reviews, 2007
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