4-{2,6-Dimethyl-4-[(E)-2-(2-Thienyl)Vinyl]Phenoxy}-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C18H18O4S
IUPAC Name 4-[2,6-dimethyl-4-[(e)-2-(2-thienyl)vinyl]phenoxy]-4-oxo-butanoic acid
Molecular Mass 330.398 g·mol−1
Heat of Formation -564.1 ± 16.7 kJ·mol−1
Dipole Moment 0.79 ± 1.08 D
Volume 396.5 Å 3
Surface Area 360.63 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-dimethyl-4-(2-(2-thienyl)ethenyl)-phenol succinate ester
  • 2,6-dimethyl-4-(2-(2-thienyl)ethenyl)phenyl succinate
  • 4-[2,6-dimethyl-4-[(e)-2-(2-thienyl)vinyl]phenoxy]-4-keto-butyric acid
  • 4-[2,6-dimethyl-4-[(e)-2-(2-thienyl)vinyl]phenoxy]-4-oxo-butanoic acid
  • 4-[2,6-dimethyl-4-[(e)-2-(2-thienyl)vinyl]phenoxy]-4-oxobutanoic acid
  • 4-[2,6-dimethyl-4-[(e)-2-thiophen-2-ylethenyl]phenoxy]-4-oxo-butanoic acid
  • bi-l 357
  • bi-l-357
  • butanedioic acid, mono(2,6-dimethyl-4-(2-(2-thienyl)ethenyl)phenyl) ester, (e)-
CAS Number(s)
  • 149539-02-6
  • 125722-33-0
InChIKey OIDYLVFJAIPWBI-AATRIKPKSA-N
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