(1S,2S)-7-Hydroxy-1-Methyl-9,10-Dioxo-2-(3-Oxobutyl)-1,2,9,10-Tetrahydro-1-Anthracenecarbaldehyde

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Properties Simple | Detailed

Formula C20H18O5
IUPAC Name (1s,2s)-7-hydroxy-1-methyl-9,10-dioxo-2-(3-oxobutyl)-2h-anthracene-1-carbaldehyde
Molecular Mass 338.354 g·mol−1
Heat of Formation -598.1 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 391.01 Å 3
Surface Area 337.78 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s)-7-hydroxy-1-methyl-9,10-dioxo-2-(3-oxobutyl)-2h-anthracene-1-carbaldehyde
  • (1s,2s)-7-hydroxy-1-methyl-9,10-dioxo-2-(3-oxobutyl)-2h-anthracene-1-carboxaldehyde
  • (1s,2s)-7-hydroxy-9,10-diketo-2-(3-ketobutyl)-1-methyl-2h-anthracene-1-carbaldehyde
  • 1-anthracenecarboxaldehyde, 1,2,9,10-tetrahydro-7-hydroxy-1-methyl-9,10-dioxo-2-(3-oxobutyl)-, (1s,2s)-
  • 7-hydroxy-1-methyl-9,10-dioxo-2-(3-oxo-butyl)-1,2,9,10-tetrahydro-anthracene-1-carbaldehyde
  • rel-(1r,2r)-7-hydroxy-1-methyl-9,10-dioxo-2-(3-oxobutyl)-1,2,9,10-tetrahydroanthracene-1-carbaldehyde
InChIKey DLOKNSHPNFRFJA-YUNKPMOVSA-N
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Elements H C O