2,4,6-Trihydroxy-5-(3-Methylbutanoyl)Isophthalaldehyde

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Properties Simple | Detailed

Formula C13H14O6
IUPAC Name 2,4,6-trihydroxy-5-(3-methylbutanoyl)benzene-1,3-dicarbaldehyde
Molecular Mass 266.247 g·mol−1
Heat of Formation -1095.5 ± 16.7 kJ·mol−1
Dipole Moment 1.29 ± 1.08 D
Volume 292.3 Å 3
Surface Area 269.87 Å 2
HOMO Energy -10.36 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
InChIKey LGXKQDDWMRYQJK-UHFFFAOYSA-N
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