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

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Properties Simple | Detailed

Formula C18H18O4
IUPAC Name (e)-4-methyl-6-(3-methyl-1,4-dioxo-2-naphthyl)hex-4-enoic acid
Molecular Mass 298.333 g·mol−1
Heat of Formation -563.7 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 365.63 Å 3
Surface Area 302.63 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-methyl-6-(3-methyl-1,4-dioxo-2-naphthyl)hex-4-enoic acid
  • (e)-4-methyl-6-(3-methyl-1,4-dioxo-naphthalen-2-yl)hex-4-enoic acid
  • (e)-4-methyl-6-(3-methyl-1,4-dioxonaphthalen-2-yl)hex-4-enoic acid
  • (e)-6-(1,4-diketo-3-methyl-2-naphthyl)-4-methyl-hex-4-enoic acid
  • 2-methyl-3-(5'-carboxy-3'-methyl-2'-pentenyl)-1,4-naphthoquinone
  • 4-hexenoic acid, 6-(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-4-methyl-
  • phylloquinone aglycone i
  • vitamin k1 aglycone i
CAS Number(s)
  • 51732-61-7
InChIKey BCNIZSHMXASUGF-YRNVUSSQSA-N
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