(2S)-2-(2-Carboxyethyl)-6-{(E)-[(2E)-2-(Hydroxyimino)-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 C22H19NO7
IUPAC Name (2s)-2-(2-carboxyethyl)-6-[(e)-[(2e)-2-hydroxyiminoindan-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
Molecular Mass 409.389 g·mol−1
Heat of Formation -846.6 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 457.7 Å 3
Surface Area 400.39 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
InChIKey ATOXVCQZZLATRT-WKXZFCCTSA-N
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