(3E,5Z)-6-Hydroxy-6-(2-Hydroxyphenyl)-2-Oxo-3,5-Hexadienoic Acid

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Properties Simple | Detailed

Formula C12H10O5
IUPAC Name (3e,5z)-6-hydroxy-6-(2-hydroxyphenyl)-2-oxo-hexa-3,5-dienoic acid
Molecular Mass 234.205 g·mol−1
Heat of Formation -654.3 ± 16.7 kJ·mol−1
Dipole Moment 9.33 ± 1.08 D
Volume 268.98 Å 3
Surface Area 262.7 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4z)-2-hydroxy-6-(2-hydroxyphenyl)-6-oxohexa-2,4-dienoic acid
  • (3e,5z)-6-hydroxy-6-(2-hydroxyphenyl)-2-keto-hexa-3,5-dienoic acid
  • (3e,5z)-6-hydroxy-6-(2-hydroxyphenyl)-2-oxo-hexa-3,5-dienoic acid
  • (3e,5z)-6-hydroxy-6-(2-hydroxyphenyl)-2-oxohexa-3,5-dienoic acid
  • 2,4-hexadienoic acid, 2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-
  • 2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-2,4-hexadienoic acid
  • 2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-cis,cis-hexa-2,4-dienoic acid
  • 2-hydroxy-6-oxo-6-(2-hydroxyphenyl)hexa-2,4-dienoate
  • 2-hydroxy-6-oxo-6-(2-hydroxyphenyl)hexa-2,4-dienoic acid
  • 6-hydroxy-6-(2-hydroxyphenyl)-2-keto-hexa-3,5-dienoic acid
  • 6-hydroxy-6-(2-hydroxyphenyl)-2-oxo-hexa-3,5-dienoic acid
  • 6-hydroxy-6-(2-hydroxyphenyl)-2-oxohexa-3,5-dienoic acid
CAS Number(s)
  • 133587-38-9
InChIKey HNVBUXTUHPMTRW-JSXJEZROSA-N
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