(2E)-4-Oxo-4-(3,4,5-Trimethoxyphenyl)-2-Butenoic Acid

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Properties Simple | Detailed

Formula C13H14O6
IUPAC Name (e)-4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid
Molecular Mass 266.247 g·mol−1
Heat of Formation -806.7 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 306.73 Å 3
Surface Area 285.64 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(3,4,5-trimethoxybenzoyl)acrylic acid
  • (e)-4-(3,4,5-trimethoxyphenyl)-4-oxo-2-butenoic acid
  • (e)-4-keto-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid
  • (e)-4-oxo-4-(3,4,5-trimethoxyphenyl)-2-butenoic acid
  • (e)-4-oxo-4-(3,4,5-trimethoxyphenyl)but-2-enoic acid
  • 2-butenoic acid, 4-oxo-4-(3,4,5-trimethoxyphenyl)-, (e)-
  • 4-oxo-4-(3,4,5-trimethoxyphenyl)-2-butenoic acid
  • baxitozine
  • ru 38086
CAS Number(s)
  • 84386-11-8
  • 94201-97-5
InChIKey PVCWLTQMJSUKGZ-SNAWJCMRSA-N
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