1-[2-(5-Carboxy-4-Hydroxypentanoyl)-6-Hydroxybenzoyl]-3,8-Dihydroxy-9,10-Dioxo-9,10-Dihydro-2-Anthracenecarboxylic Acid

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Properties Simple | Detailed

Formula C28H20O12
IUPAC Name 1-[2-[(4s)-5-carboxy-4-hydroxy-pentanoyl]-6-hydroxy-benzoyl]-3,8-dihydroxy-9,10-dioxo-anthracene-2-carboxylic acid
Molecular Mass 548.451 g·mol−1
Heat of Formation -1840.4 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 571.15 Å 3
Surface Area 447.92 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -2.21 ± eV
Point Group Symmetry C1
InChIKey XFESZXMDORIFAO-NSHDSACASA-N
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Elements H C O