[2-[(1R)-2,2-Dimethylcyclopropyl]Acetyl] 2,2-Dimethylbutanoate

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Properties Simple | Detailed

Formula C13H22O3
IUPAC Name [2-[(1r)-2,2-dimethylcyclopropyl]acetyl] 2,2-dimethylbutanoate
Molecular Mass 226.312 g·mol−1
Heat of Formation -640.8 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 309.56 Å 3
Surface Area 283.32 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy 3.72 ± eV
Point Group Symmetry C1
InChIKey IWYAMVZNEFWHHR-VIFPVBQESA-N
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Elements H C O