Sorbicillin

Molecule SVG Image

Properties Simple | Detailed

Formula C14H16O3
IUPAC Name (2e,4e)-1-(2,4-dihydroxy-3,5-dimethyl-phenyl)hexa-2,4-dien-1-one
Molecular Mass 232.275 g·mol−1
Heat of Formation -427.0 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 286.71 Å 3
Surface Area 278.1 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e)-1-(2,4-dihydroxy-3,5-dimethyl-phenyl)hexa-2,4-dien-1-one
  • (2e,4e)-1-(2,4-dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-1-one
  • 2,4-hexadien-1-one, 1-(2,4-dihydroxy-3,5-dimethylphenyl)-, (2e,4e)-
  • 3-hydroxy-2,4-dimethyl-6-(1-oxo-hexa-2,4-dienyl)phenol
  • acon0_000046
  • acon1_001459
  • megxm0_000242
  • osrbicilin
CAS Number(s)
  • 79950-85-9
InChIKey RKKPUBAAIGFXOG-YTXTXJHMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O