[2-[(1S,2R)-2-Methylcyclopropyl]Acetyl] 2,2-Dimethylpentanoate

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Properties Simple | Detailed

Formula C13H22O3
IUPAC Name [2-[(1s,2r)-2-methylcyclopropyl]acetyl] 2,2-dimethylpentanoate
Molecular Mass 226.312 g·mol−1
Heat of Formation -636.4 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 307.9 Å 3
Surface Area 286.05 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy 3.69 ± eV
Point Group Symmetry C1
InChIKey BSAMNIQZZQYNKC-ZJUUUORDSA-N
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