(-)-Terreic Acid

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Properties Simple | Detailed

Formula C7H6O4
IUPAC Name (1s,6r)-4-hydroxy-3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Molecular Mass 154.120 g·mol−1
Heat of Formation -429.5 ± 16.7 kJ·mol−1
Dipole Moment 1.32 ± 1.08 D
Volume 163.65 Å 3
Surface Area 164.41 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy 1.40 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-3-hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione
  • (1r,6s)-3-hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione
  • (1s,6r)-4-hydroxy-3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
  • (1s,6r)-4-hydroxy-3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-quinone
  • 2-hydroxy-3-methyl-1,4-benzoquinone 5,6-epoxide
  • 3-hydroxy-4-methyl-7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione
  • 5,6-epoxy-3-hydroxy-p-toluquinone
  • 7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-hydroxy-4-methyl-, (1r)-
  • 7-oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-hydroxy-4-methyl-, stereoisomer
  • 7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione, 3-hydroxy-4-methyl-, (1r-cis)-
  • biomolki2_000077
  • biomolki_000073
  • smp2_000322
CAS Number(s)
  • 121-40-4
InChIKey ATFNSNUJZOYXFC-RQJHMYQMSA-N
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