Isohexyl (1S,2S)-2-Methylcyclobutanecarboxylate

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Formula C12H22O2
IUPAC Name isohexyl (1s,2s)-2-methylcyclobutanecarboxylate
Molecular Mass 198.302 g·mol−1
Heat of Formation -504.8 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 279.33 Å 3
Surface Area 270.13 Å 2
HOMO Energy -10.56 ± 0.55 eV
LUMO Energy 4.14 ± eV
Point Group Symmetry C1
InChIKey XCOBMIQRIIGWDU-QWRGUYRKSA-N
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Elements H C O