9-(3-Oxoprop-1-Enyl)Adenine

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Properties Simple | Detailed

Formula C8H7N5O
IUPAC Name (e)-3-(6-aminopurin-9-yl)prop-2-enal
Molecular Mass 189.174 g·mol−1
Heat of Formation 225.4 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 210.89 Å 3
Surface Area 211.48 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry Cs
Synonyms
  • (e)-3-(6-amino-9-purinyl)prop-2-enal
  • (e)-3-(6-aminopurin-9-yl)acrolein
  • (e)-3-(6-aminopurin-9-yl)prop-2-enal
  • 2-propenal, 3-(6-amino-9h-purin-9-yl)-
  • 3-(6-amino-9h-purin-9-yl)-2-propenal
  • adenine propenal
CAS Number(s)
  • 90029-73-5
InChIKey LYXOMQKQLZJTQN-OWOJBTEDSA-N
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