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1-(9H-Purin-9-yl)ethanone
[CAS# 70740-28-2]

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Identification
Name 1-(9H-Purin-9-yl)ethanone
Synonyms 1-(9H-purin-9-yl)ethanone
Molecular Structure CAS#: 70740-28-2, 1-(9H-Purin-9-yl)ethanone
Molecular Formula C7H6N4O
Molecular Weight 162.15
CAS Registry Number 70740-28-2
SMILES CC(=O)n2cnc1cncnc12
InChI 1S/C7H6N4O/c1-5(12)11-4-10-6-2-8-3-9-7(6)11/h2-4H,1H3
InChIKey WVJLGTBKYSTGGA-UHFFFAOYSA-N
Properties
Density 1.481g/cm3 (Cal.)
Boiling point 338.287°C at 760 mmHg (Cal.)
Flash point 158.39°C (Cal.)
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