(3S)-3,6,8-Trihydroxy-3,4-Dihydro-1(2H)-Naphthalenone

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Properties Simple | Detailed

Formula C10H10O4
IUPAC Name (3s)-3,6,8-trihydroxytetralin-1-one
Molecular Mass 194.184 g·mol−1
Heat of Formation -661.5 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 214.64 Å 3
Surface Area 203.26 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3,6,8-trihydroxy-1-tetralinone
  • (3s)-3,6,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one
  • (3s)-3,6,8-trihydroxytetralin-1-one
  • 3,4-dihydro-3,6,8-trihydoroxy-1(2h)-napthalenone
  • scytalone
CAS Number(s)
  • 49598-85-8
InChIKey RTWVXIIKUFSDJB-ZETCQYMHSA-N
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