Pitofenone

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Properties Simple | Detailed

Formula C22H25NO4
IUPAC Name methyl 2-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzoate
Molecular Mass 367.438 g·mol−1
Heat of Formation -479.4 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 454.43 Å 3
Surface Area 387.67 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-(2-piperidinoethoxy)benzoyl]benzoic acid methyl ester
  • 2-[oxo-[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]benzoic acid methyl ester
  • methyl 2-[4-(2-piperidin-1-ylethoxy)benzoyl]benzoate
  • methyl 2-[4-(2-piperidin-1-ylethoxy)phenyl]carbonylbenzoate
  • methyl o-(p-(2-piperidinoethoxy)benzoyl)benzoate
  • pitofenone [dcf:inn]
CAS Number(s)
  • 54063-52-4
InChIKey NZHMAQSCHUSSSJ-UHFFFAOYSA-N
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