Isopropyl (2Z)-2-(3-Nitrobenzylidene)-3-Oxobutanoate

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Properties Simple | Detailed

Formula C14H15NO5
IUPAC Name 1-methylethyl (2z)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate
Molecular Mass 277.273 g·mol−1
Heat of Formation 1330.2 ± 16.7 kJ·mol−1
Dipole Moment 9.57 ± 1.08 D
Volume 280.62 Å 3
Surface Area 262.25 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -2.98 ± eV
Point Group Symmetry C1
Synonyms
  • (2z)-2-[(3-nitrophenyl)methylene]-3-oxobutanoic acid isopropyl ester
  • (z)-2-acetyl-3-(3-nitrophenyl)acrylic acid isopropyl ester
  • isopropyl (2z)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate
  • propan-2-yl (2z)-2-[(3-nitrophenyl)methylidene]-3-oxo-butanoate
  • propan-2-yl (2z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
InChIKey KSZOTXZFYCRWQK-JYRVWZFOSA-N
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