1,4-Bis(1,3-Benzodioxol-5-Yl)-2-(Hydroxymethyl)-1,4-Butanedione

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Properties Simple | Detailed

Formula C19H16O7
IUPAC Name (2r)-1,4-bis(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butane-1,4-dione
Molecular Mass 356.326 g·mol−1
Heat of Formation -829.9 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 395.55 Å 3
Surface Area 342.73 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey YNDXXIPMXGSUGT-CYBMUJFWSA-N
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Elements H C O