3-[(3As,4S,7As)-7A-Methyl-5-Oxooctahydro-1H-Inden-4-Yl]Propanoic Acid

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Formula C13H20O3
IUPAC Name 3-[(3as,4s,7as)-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1h-inden-4-yl]propanoic acid
Molecular Mass 224.296 g·mol−1
Heat of Formation -693.4 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 286.61 Å 3
Surface Area 249.72 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy 3.76 ± eV
Point Group Symmetry C1
Synonyms
  • (3aalpha,4alpha,7abeta)-octahydro-7a-methyl-5-oxo-lh-indene-4-propanoic acid
  • 3-[(3as,4s,7as)-5-keto-7a-methyl-2,3,3a,4,6,7-hexahydro-1h-inden-4-yl]propionic acid
  • 3-[(3as,4s,7as)-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1h-inden-4-yl]propanoic acid
  • perhydroindanpropionic acid
CAS Number(s)
  • 13349-15-0
InChIKey QSTIBJYLKKHROX-KWBADKCTSA-N
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