(1R,6S)-3-(Hydroxymethyl)-7-Oxabicyclo[4.1.0]Hept-3-Ene-2,5-Dione

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Properties Simple | Detailed

Formula C7H6O4
IUPAC Name (1s,6r)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Molecular Mass 154.120 g·mol−1
Heat of Formation -404.4 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 165.53 Å 3
Surface Area 166.46 Å 2
HOMO Energy -10.79 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,6s)-3-methylol-7-oxabicyclo[4.1.0]hept-3-ene-2,5-quinone
  • 7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-(hydroxymethyl)-, (1r)-
  • epoxygentisylquinone
  • phyllostine
CAS Number(s)
  • 27270-89-9
InChIKey PLELZLHJHUZIGY-RQJHMYQMSA-N
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