Methyl 3-[(2Z)-2-Ethyl-2-Buten-1-Yl]-1,6,8-Trihydroxy-9,10-Dioxo-9,10-Dihydro-2-Anthracenecarboxylate

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Properties Simple | Detailed

Formula C22H20O7
IUPAC Name methyl 3-[(z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxo-anthracene-2-carboxylate
Molecular Mass 396.390 g·mol−1
Heat of Formation -1046.4 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 448.35 Å 3
Surface Area 377.03 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-diketo-anthracene-2-carboxylic acid methyl ester
  • 3-[(z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid methyl ester
  • k 259-3
  • k-259-3
  • methyl 3-[(z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxo-anthracene-2-carboxylate
  • methyl 3-[(z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate
CAS Number(s)
  • 127172-90-1
InChIKey UTZCWJUJEFOBBU-WMZJFQQLSA-N
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