(2R)-2-(2-Carboxyethyl)-6-{(E)-[(2S)-2-Hydroxy-2,3-Dihydro-1H-Inden-1-Ylidene]Methyl}-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C22H20O7
IUPAC Name (2r)-2-(2-carboxyethyl)-6-[(e)-[(2s)-2-hydroxyindan-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Molecular Mass 396.390 g·mol−1
Heat of Formation -1032.1 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 448.79 Å 3
Surface Area 391.24 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey MFTKMGJMWGIHJP-HJKFZPBFSA-N
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