[(1R,4Ar,8Ar)-7-Methoxy-8A-Methyl-5,8-Dioxo-1,4,4A,5,8,8A-Hexahydro-1-Naphthalenyl]Acetic Acid

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Properties Simple | Detailed

Formula C14H16O5
IUPAC Name 2-[(1r,4ar,8ar)-7-methoxy-8a-methyl-5,8-dioxo-4,4a-dihydro-1h-naphthalen-1-yl]acetic acid
Molecular Mass 264.274 g·mol−1
Heat of Formation -767.3 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 304.51 Å 3
Surface Area 262.79 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1r,4ar,8ar)-5,8-diketo-7-methoxy-8a-methyl-4,4a-dihydro-1h-naphthalen-1-yl]acetic acid
  • 2-[(1r,4ar,8ar)-7-methoxy-8a-methyl-5,8-dioxo-4,4a-dihydro-1h-naphthalen-1-yl]acetic acid
  • 2-[(1r,4ar,8ar)-7-methoxy-8a-methyl-5,8-dioxo-4,4a-dihydro-1h-naphthalen-1-yl]ethanoic acid
CAS Number(s)
  • 104199-15-7
InChIKey RICGRVKVEBJEKK-UINNMSKDSA-N
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