Methyl (4,5-Dihydroxy-9,10-Dioxo-3-Pentanoyl-9,10-Dihydro-2-Anthracenyl)Acetate

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Properties Simple | Detailed

Formula C22H20O7
IUPAC Name methyl 2-(4,5-dihydroxy-9,10-dioxo-3-pentanoyl-2-anthryl)acetate
Molecular Mass 396.390 g·mol−1
Heat of Formation -1070.7 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 442.05 Å 3
Surface Area 380.05 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4,5-dihydroxy-9,10-diketo-3-valeryl-2-anthryl)acetic acid methyl ester
  • 2-[4,5-dihydroxy-9,10-dioxo-3-(1-oxopentyl)-2-anthryl]acetic acid methyl ester
  • methyl 2-(4,5-dihydroxy-9,10-dioxo-3-pentanoyl-anthracen-2-yl)ethanoate
InChIKey AEDYCMURUGEFML-UHFFFAOYSA-N
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