[2-[(1R,2S)-2-Methylcyclopropyl]Acetyl] 3,3-Dimethylpentanoate

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Properties Simple | Detailed

Formula C13H22O3
IUPAC Name [2-[(1r,2s)-2-methylcyclopropyl]acetyl] 3,3-dimethylpentanoate
Molecular Mass 226.312 g·mol−1
Heat of Formation -635.8 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 304.28 Å 3
Surface Area 285.64 Å 2
HOMO Energy -10.37 ± 0.55 eV
LUMO Energy 3.70 ± eV
Point Group Symmetry C1
InChIKey QVVKYNVSISUFJN-VHSXEESVSA-N
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