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

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Properties Simple | Detailed

Formula C13H22O3
IUPAC Name [2-[(1s,2r)-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 304.73 Å 3
Surface Area 285.94 Å 2
HOMO Energy -10.37 ± 0.55 eV
LUMO Energy 3.70 ± eV
Point Group Symmetry C1
InChIKey QVVKYNVSISUFJN-ZJUUUORDSA-N
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Elements H C O