(1S,4R)-4,7,7-Trimethyl-3-Oxo-2-Oxabicyclo[2.2.1]Heptane-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C10H14O4
IUPAC Name (1s,4r)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
Molecular Mass 198.216 g·mol−1
Heat of Formation -741.9 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 234.77 Å 3
Surface Area 204.31 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (−)-camphanic acid
  • (1r,4s)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid
  • (1r,4s)-2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid
  • (1s)-(−)-camphanic acid
  • (1s)-3-oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
InChIKey KPWKPGFLZGMMFX-VHSXEESVSA-N
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Elements H C O