6-(3-Methyl-1,4-Dioxo-1,4-Dihydro-2-Naphthalenyl)Hexanoic Acid

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Properties Simple | Detailed

Formula C17H20O4
IUPAC Name 6-[(2s)-3-methyl-1,4-dioxo-tetralin-3-id-2-yl]hexanoate
Molecular Mass 288.338 g·mol−1
Heat of Formation -96.2 ± 16.7 kJ·mol−1
Dipole Moment 29.30 ± 1.08 D
Volume 348.15 Å 3
Surface Area 317.77 Å 2
HOMO Energy -6.81 ± 0.55 eV
LUMO Energy -5.08 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(1,4-diketo-3-methyl-2-naphthyl)hexanoic acid
  • 6-(3-methyl-1,4-dioxo-naphthalen-2-yl)hexanoic acid
  • 6-(3-methyl-1,4-dioxonaphthalen-2-yl)hexanoic acid
InChIKey ICGRXHWXPCXIKM-UHFFFAOYSA-N
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Elements H C O