5,8-Dihydroxy-2-(4-Methyl-3-Pentenyl)Naphthoquinone

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Properties Simple | Detailed

Formula C16H16O4
IUPAC Name 5,8-dihydroxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione
Molecular Mass 272.296 g·mol−1
Heat of Formation -574.2 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 319.97 Å 3
Surface Area 289.62 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-naphthalenedione, 5,8-dihydroxy-2-(4-methyl-3-pentenyl)-
  • 5,8-dihydroxy-2-(4-methylpent-3-enyl)-1,4-naphthoquinone
  • arnebin 7
  • arnebin-7
  • deoxyshikonin
CAS Number(s)
  • 43043-74-9
InChIKey VOMDIEGPEURZJO-UHFFFAOYSA-N
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