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1H-Purine-8-Carboxylic Acid
[CAS# 28128-23-6]

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Identification
Name 1H-Purine-8-Carboxylic Acid
Synonyms 1H-purine-8-carboxylic acid; 1H-Purine-8-carboxylicacid
Molecular Structure CAS#: 28128-23-6, 1H-Purine-8-Carboxylic Acid
Molecular Formula C6H4N4O2
Molecular Weight 164.12
CAS Registry Number 28128-23-6
SMILES OC(=O)c1nc2ncncc2n1
InChI 1S/C6H4N4O2/c11-6(12)5-9-3-1-7-2-8-4(3)10-5/h1-2H,(H,11,12)(H,7,8,9,10)
InChIKey QAJJXAGDCARCHD-UHFFFAOYSA-N
Properties
Density 1.745g/cm3 (Cal.)
Boiling point 502.195°C at 760 mmHg (Cal.)
Flash point 257.518°C (Cal.)
Refractive index 1.787 (Cal.)
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