3-Carboxy-4-Methyl-5-Propyl-2-Furanpropanoic Acid

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Properties Simple | Detailed

Formula C12H16O5
IUPAC Name 2-(2-carboxyethyl)-4-methyl-5-propyl-furan-3-carboxylic acid
Molecular Mass 240.252 g·mol−1
Heat of Formation -961.5 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 289.65 Å 3
Surface Area 271.58 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-carboxyethyl)-4-methyl-5-propyl-3-furancarboxylic acid
  • 2-(2-carboxyethyl)-4-methyl-5-propyl-3-furoic acid
  • 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid
  • 2-furanpropanoic acid, 3-carboxy-4-methyl-5-propyl-
  • 2-furanpropanoic acid, 3-carboxy-4-methyl-5-propyl-, (2s-(2alpha,3beta,4aalpha,12balpha))-
  • 3-carboxy-4-methyl-5-propyl-2-furanpropionate
  • 3-carboxy-4-methyl-5-propyl-2-furanpropionic
  • 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid
  • c1f
  • cmpfpa
CAS Number(s)
  • 86879-39-2
InChIKey WMCQWXZMVIETAO-UHFFFAOYSA-N
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