(2R)-1-Methoxy-3-Methyl-1-Oxo-2-Butanyl Benzoate

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Properties Simple | Detailed

Formula C13H16O4
IUPAC Name [(1r)-1-methoxycarbonyl-2-methyl-propyl] benzoate
Molecular Mass 236.264 g·mol−1
Heat of Formation -669.0 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 292.86 Å 3
Surface Area 266.67 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-methoxycarbonyl-2-methyl-propyl] benzoate
  • [(2r)-1-methoxy-3-methyl-1-oxo-butan-2-yl] benzoate
  • [(2r)-1-methoxy-3-methyl-1-oxobutan-2-yl] benzoate
  • benzoic acid [(1r)-1-carbomethoxy-2-methyl-propyl] ester
  • benzoic acid [(1r)-1-methoxycarbonyl-2-methylpropyl] ester
  • butanoic acid, 2-(benzoyloxy)-3-methyl-, methyl ester, (r)-
CAS Number(s)
  • 126518-76-1
InChIKey AJCKKMJVWKRHNA-LLVKDONJSA-N
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