3-{7-[3-(4-Acetyl-3-Hydroxy-2-Propylphenoxy)Propoxy]-4-Oxo-8-Propyl-4H-Chromen-2-Yl}Propanoic Acid

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Properties Simple | Detailed

Formula C29H34O8
IUPAC Name 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-oxo-8-propyl-chromen-2-yl]propanoic acid
Molecular Mass 510.575 g·mol−1
Heat of Formation -1406.5 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 619.93 Å 3
Surface Area 434.07 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(7-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyloxy)-4-oxo-8-propyl-4h-1-benzopyran)-2-propionic acid
  • 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-keto-8-propyl-chromen-2-yl]propionic acid
  • 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propyl-2-chromenyl]propanoic acid
  • 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propylchromen-2-yl]propanoic acid
  • 3-[7-[3-(4-ethanoyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-oxo-8-propyl-chromen-2-yl]propanoic acid
  • 4h-1-benzopyran-2-propanoic acid, 7-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy)-4-oxo-8-propyl-
CAS Number(s)
  • 76847-71-7
InChIKey BBCHUVZBELDRPC-UHFFFAOYSA-N
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