2,5-Furandione, 3-Methyl-4-(6-Methyl-7-Oxo-1,3,5-Octatrienyl)-, (E,E,E)-

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Properties Simple | Detailed

Formula C14H14O4
IUPAC Name 3-methyl-4-[(1e,3e,5e)-6-methyl-7-oxo-octa-1,3,5-trienyl]furan-2,5-dione
Molecular Mass 246.259 g·mol−1
Heat of Formation -448.6 ± 16.7 kJ·mol−1
Dipole Moment 7.69 ± 1.08 D
Volume 303.67 Å 3
Surface Area 292.64 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(1e,3e,5e)-7-keto-6-methyl-octa-1,3,5-trienyl]-4-methyl-furan-2,5-quinone
  • 3-methyl-4-(6'-methyl-7'-oxo-1',3',5'-octatrienyl)-2,5-furandione
  • 3-methyl-4-[(1e,3e,5e)-6-methyl-7-oxo-octa-1,3,5-trienyl]furan-2,5-dione
  • graphenone
CAS Number(s)
  • 158204-25-2
InChIKey DPZNQXPHRMGJIG-WUJFNTSISA-N
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