Trepibutone

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Properties Simple | Detailed

Formula C16H22O6
IUPAC Name 4-oxo-4-(2,4,5-triethoxyphenyl)butanoic acid
Molecular Mass 310.342 g·mol−1
Heat of Formation -1034.1 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 382.69 Å 3
Surface Area 350.66 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,4-triethoxy-gamma-oxobenzenebutanoic acid
  • 2,4,5-triethoxy-gamma-oxobenzenebutanoic acid
  • 3-(2,4,5-triethoxybenzoyl)propionic acid
  • 4-keto-4-(2,4,5-triethoxyphenyl)butyric acid
  • aa 149
  • aa-149
  • aa149
  • choliatron
  • colibil
  • d01365
  • propionic acid, 3-(2,4,5-triethoxybenzoyl)-
  • supacal
  • trepibutone (jp15)
  • triethoxybenzoylpropionate
CAS Number(s)
  • 41826-92-0
InChIKey YPTFHLJNWSJXKG-UHFFFAOYSA-N
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