Rooperol

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Properties Simple | Detailed

Formula C17H14O4
IUPAC Name 4-[(e)-5-(3,4-dihydroxyphenyl)pent-1-en-4-ynyl]benzene-1,2-diol
Molecular Mass 282.291 g·mol−1
Heat of Formation -271.1 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 334.19 Å 3
Surface Area 323.03 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenediol, 4,4'-(1-penten-4-yne-1,5-diyl)bis-, (e)-
  • 1,5-bis(3',4'-dihydroxyphenyl)pent-4-en-1-yne
  • 4-[(e)-5-(3,4-dihydroxyphenyl)pent-1-en-4-ynyl]benzene-1,2-diol
  • 4-[(e)-5-(3,4-dihydroxyphenyl)pent-1-en-4-ynyl]pyrocatechol
  • p2-bdhpp
CAS Number(s)
  • 83644-00-2
InChIKey JQPOMMNEABQHEU-DUXPYHPUSA-N
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