N-(Acetoxy)-Ethyl-2(Acetoxy)Acetopyrrole

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Properties Simple | Detailed

Formula C12H15NO5
IUPAC Name 2-[2-(2-acetoxyacetyl)pyrrol-1-ium-2-ylium-1-yl]ethyl acetate
Molecular Mass 253.251 g·mol−1
Heat of Formation -808.7 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 302.16 Å 3
Surface Area 274.01 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-(2-acetoxyacetyl)pyrrol-1-yl]ethyl acetate
  • 2-[2-(2-acetyloxyacetyl)pyrrol-1-yl]ethyl acetate
  • 2-[2-(2-acetyloxyethanoyl)pyrrol-1-yl]ethyl ethanoate
  • acetic acid 2-[2-(2-acetoxy-1-oxoethyl)-1-pyrrolyl]ethyl ester
  • acetic acid 2-[2-(2-acetoxyacetyl)pyrrol-1-yl]ethyl ester
  • ethanone, 2-(acetyloxy)-1-(1-(2-(acetyloxy)ethyl)-1h-pyrrol-2-yl)-
  • n-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole
  • naeaap
CAS Number(s)
  • 136396-66-2
InChIKey MQOIQZQZKFIVMH-UHFFFAOYSA-N
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