4-(5-Cyclohexyl-2,4-Dimethoxyphenyl)-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C18H24O5
IUPAC Name 4-(5-cyclohexyl-2,4-dimethoxy-phenyl)-4-oxo-butanoic acid
Molecular Mass 320.380 g·mol−1
Heat of Formation -909.9 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 394.46 Å 3
Surface Area 349.34 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(5-cyclohexyl-2,4-dimethoxy-phenyl)-4-keto-butyric acid
  • 5-cyclohexyl-2,4-dimethoxy-gamma-oxobenzenebutyric acid
  • benzenebutanoic acid, 5-cyclohexyl-2,4-dimethoxy-gamma-oxo-
  • beta-(2,4-dimethoxy-5-cyclohexylbenzoyl)propionic acid
  • propionic acid, 3-(5-cyclohexyl-2,4-dimethoxybenzoyl)-
  • sc-2644
CAS Number(s)
  • 36879-87-5
InChIKey YOCBPCQZXRQJFU-UHFFFAOYSA-N
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