3-[(2Z)-2-Ethyl-2-Buten-1-Yl]-1,6,8-Trihydroxy-9,10-Dioxo-9,10-Dihydro-2-Anthracenecarboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C21H18O7
IUPAC Name 3-[(z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxo-anthracene-2-carboxylic acid
Molecular Mass 382.363 g·mol−1
Heat of Formation -1064.9 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 425.49 Å 3
Surface Area 356.91 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-diketo-anthracene-2-carboxylic acid
  • 3-[(z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid
  • 3-[(z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxo-anthracene-2-carboxylic acid
  • 3-[(z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
  • k 259-2
  • k-259-2
CAS Number(s)
  • 102819-46-5
InChIKey SYTAMFWHVQWAKV-OQFOIZHKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O