(+)-Brazilin

Molecule SVG Image

Properties Simple | Detailed

Formula C16H14O5
IUPAC Name (6as,11br)-7,11b-dihydro-6h-indeno[2,1-c]chromene-3,6a,9,10-tetrol
Molecular Mass 286.279 g·mol−1
Heat of Formation -705.3 ± 16.7 kJ·mol−1
Dipole Moment 1.40 ± 1.08 D
Volume 313.61 Å 3
Surface Area 277.87 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (6as,11br)-7,11b-dihydro-6h-indeno[2,1-c]chromene-3,6a,9,10-tetrol
  • 7,11b-dihydrobenz(b)indeno(1,2-d)pyran-3,6a,9,10(6h)-tetrol
  • benz(b)indeno(1,2-d)pyran-3,6a,9,10(6h)-tetrol, 7,11b-dihydro- (van) (8ci)(9ci)
  • benz(b)indeno(1,2-d)pyran-3,6a,9,10(6h)-tetrol, 7,11b-dihydro-, (6as,11br)-
  • benz[b]indeno[1,2-d]pyran-3,6a,9,10(6h)-tetrol, 7,11b-dihydro-,(6as,11br)-
  • brazilin
CAS Number(s)
  • 474-07-7
  • 22562-62-5
InChIKey UWHUTZOCTZJUKC-JKSUJKDBSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O