3,10,11-Trihydroxy-6H-Dibenzo[B,D]Oxocin-7(8H)-One

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Properties Simple | Detailed

Formula C15H12O5
IUPAC Name 5,14,15-trihydroxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-10-one
Molecular Mass 272.253 g·mol−1
Heat of Formation -660.8 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 299.07 Å 3
Surface Area 266.24 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.57 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-dibenz(b,d)oxocin-7(8h)-one, 3,10,11-trihydroxy-
  • protosappanin a
  • sappanol b
CAS Number(s)
  • 102036-28-2
InChIKey MUKYVRVYBBYJSI-UHFFFAOYSA-N
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