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

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Properties Simple | Detailed

Formula C13H22O3
IUPAC Name [2-(1-methylcyclopropyl)acetyl] 3,3-dimethylpentanoate
Molecular Mass 226.312 g·mol−1
Heat of Formation -637.6 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 306.28 Å 3
Surface Area 277.53 Å 2
HOMO Energy -10.42 ± 0.55 eV
LUMO Energy 3.64 ± eV
Point Group Symmetry C1
InChIKey MGIGTAYSCRZTST-UHFFFAOYSA-N
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Elements H C O