9,17-Dioxo-1,2,3,4,10,19-Hexanorandrostan-5-Oic Acid

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Formula C13H18O4
IUPAC Name 3-[(3as,4s,7as)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl]propanoic acid
Molecular Mass 238.280 g·mol−1
Heat of Formation -819.5 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 292.91 Å 3
Surface Area 253.34 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy 0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(3as,4s,7as)-1,5-diketo-7a-methyl-2,3,3a,4,6,7-hexahydroinden-4-yl]propionic acid
  • 3-[(3as,4s,7as)-7a-methyl-1,5-dioxo-2,3,3a,4,6,7-hexahydroinden-4-yl]propanoic acid
InChIKey PCCFNLPWOFTZPJ-RVBZMBCESA-N
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