Musk Ketone

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Properties Simple | Detailed

Formula C14H18N2O5
IUPAC Name 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)ethanone
Molecular Mass 294.303 g·mol−1
Heat of Formation -244.8 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 342.64 Å 3
Surface Area 284.61 Å 2
HOMO Energy -10.68 ± 0.55 eV
LUMO Energy 1.62 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)ethanone
  • 2,6-dinitro-3,5-dimethyl-4-acetyl-tert-butylbenzene
  • 2-acetyl-5-tert-butyl-4,6-dinitroxylene
  • 3,5-dinitro-2,6-dimethyl-4-tert-butylacetophenone
  • 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitroacetophenone
  • 4-tert-butyl-2,6-dimethyl-3,5-dinitroacetophenone
  • 4-tert-butyl-3,5-dinitro-2,6-dimethylacetophenone
  • acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-
  • acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro- (8ci)
  • ethanone, 1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)-
  • ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]-
  • ketone moschus
  • musk ketone solution
CAS Number(s)
  • 81-14-1
InChIKey WXCMHFPAUCOJIG-UHFFFAOYSA-N
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