1,7,9,11-Tetrahydroxy-8,13-Dioxo-3-(2-Oxopropyl)-5,6,8,13-Tetrahydrobenzo[A]Tetracene-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C26H18O9
IUPAC Name 1,7,9,11-tetrahydroxy-8,13-dioxo-3-(2-oxopropyl)-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
Molecular Mass 474.416 g·mol−1
Heat of Formation -1344.0 ± 16.7 kJ·mol−1
Dipole Moment 6.97 ± 1.08 D
Volume 498.26 Å 3
Surface Area 422.23 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
Synonyms
  • benzo(a)naphthacene-2-carboxylic acid, 5,6,8,13-tetrahydro-1,7,9,11-tetrahydroxy-8,13-dioxo-3-(2-oxopropyl)-
  • ks 619-1
  • ks-619-1
CAS Number(s)
  • 103370-21-4
InChIKey ODDJKDDLIBUZMH-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O