(2R,4S)-2,4,5-Trihydroxy-3,4-Dihydro-1(2H)-Naphthalenone

Molecule SVG Image

Properties Simple | Detailed

Formula C10H10O4
IUPAC Name (2r,4s)-2,4,5-trihydroxytetralin-1-one
Molecular Mass 194.184 g·mol−1
Heat of Formation -630.8 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 213.36 Å 3
Surface Area 201.28 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s)-2,4,5-trihydroxy-1-tetralinone
  • (2r,4s)-2,4,5-trihydroxy-3,4-dihydro-2h-naphthalen-1-one
  • (2r,4s)-2,4,5-trihydroxytetralin-1-one
  • 1(2h)-naphthalenone, 3,4-dihydro-2,4,5-trihydroxy-, cis-(+-)-
  • 2,4,5-thto
  • 2,4,5-trihydroxy-1-tetralone
  • 3,4-dihydro-2,4,5-trihydroxy-1(2h)-naphthalenone cis-(+-)-
CAS Number(s)
  • 110901-27-4
InChIKey IWQBULDDQSARRE-JGVFFNPUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O