[(3-Cyano-4,5-Dimethyl-1H-Pyrrol-2-Yl)Amino](Oxo)Acetic Acid

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Properties Simple | Detailed

Formula C9H9N3O3
IUPAC Name 2-[(3-cyano-4,5-dimethyl-pyrrol-1-ium-5-ylium-2-yl)amino]-2-oxo-acetic acid
Molecular Mass 207.186 g·mol−1
Heat of Formation -344.8 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 236.94 Å 3
Surface Area 233.46 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry Cs
Synonyms
  • ((3-cyano-4,5-dimethyl-1h-pyrrol-2-yl)amino)(oxo)acetic acid
  • 2-[(3-cyano-4,5-dimethyl-1h-pyrrol-2-yl)amino]-2-keto-acetic acid
  • 2-[(3-cyano-4,5-dimethyl-1h-pyrrol-2-yl)amino]-2-oxo-acetic acid
  • 2-[(3-cyano-4,5-dimethyl-1h-pyrrol-2-yl)amino]-2-oxo-ethanoic acid
  • 2-[(3-cyano-4,5-dimethyl-1h-pyrrol-2-yl)amino]-2-oxoacetic acid
  • 3-cdmpoa
  • 3-cyano-4,5-dimethyl-2-pyrroloxamic acid
  • acetic acid, ((3-cyano-4,5-dimethyl-1h-pyrrol-2-yl)amino)oxo-
CAS Number(s)
  • 54329-28-1
InChIKey HBYLQPFRWBQKQI-UHFFFAOYSA-N
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