(2R)-3-(1,3-Benzodioxol-5-Yl)-2-Methylpropanal

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Properties Simple | Detailed

Formula C11H12O3
IUPAC Name (2r)-3-(1,3-benzodioxol-5-yl)-2-methyl-propanal
Molecular Mass 192.211 g·mol−1
Heat of Formation -358.9 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 233.74 Å 3
Surface Area 221.09 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-(1,3-benzodioxol-5-yl)-2-methyl-propanal
  • (2r)-3-(1,3-benzodioxol-5-yl)-2-methyl-propionaldehyde
InChIKey BOPPSUHPZARXTH-MRVPVSSYSA-N
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