(1S,2S,6S)-2,5-Dihydroxy-4-Methyl-7-Oxabicyclo[4.1.0]Hept-4-En-3-One

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Properties Simple | Detailed

Formula C7H8O4
IUPAC Name (1s,2s,6s)-2,5-dihydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-4-en-3-one
Molecular Mass 156.136 g·mol−1
Heat of Formation -517.3 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 170.43 Å 3
Surface Area 168.97 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 7-oxabicyclo(4.1.0)hept-3-en-2-one, 4,5-dihydroxy-3-methyl-
  • 7-oxabicyclo(4.1.0)hept-3-en-2-one, 4,5-dihydroxy-3-methyl-, (1s-(1-alpha,5-beta,6-alpha))-
  • terremutin
CAS Number(s)
  • 18746-82-2
InChIKey KYFJQTVEGISKST-QYNIQEEDSA-N
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