[2-[(1R,2S)-2-Methylcyclopropyl]Acetyl] 5-Methylhexanoate

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Properties Simple | Detailed

Formula C13H22O3
IUPAC Name [2-[(1r,2s)-2-methylcyclopropyl]acetyl] 5-methylhexanoate
Molecular Mass 226.312 g·mol−1
Heat of Formation -638.7 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 306.83 Å 3
Surface Area 298.31 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy 3.67 ± eV
Point Group Symmetry C1
InChIKey FAFINYLPLDBZPS-WDEREUQCSA-N
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Elements H C O