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

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Properties Simple | Detailed

Formula C11H18O3
IUPAC Name [2-[(1s,2r)-2-methylcyclopropyl]acetyl] (2s)-2-methylbutanoate
Molecular Mass 198.259 g·mol−1
Heat of Formation -594.2 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 264.16 Å 3
Surface Area 258.51 Å 2
HOMO Energy -10.42 ± 0.55 eV
LUMO Energy 3.62 ± eV
Point Group Symmetry C1
InChIKey UOVRVGQYCZCIPX-YIZRAAEISA-N
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Elements H C O