3-Methyl-1-(2-Methylphenyl)-1-Butanone

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Properties Simple | Detailed

Formula C12H16O
IUPAC Name 3-methyl-1-(o-tolyl)butan-1-one
Molecular Mass 176.255 g·mol−1
Heat of Formation -188.1 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 244.39 Å 3
Surface Area 224.92 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 2.95 ± eV
Point Group Symmetry C1
InChIKey NXHBKNYNOYNTDZ-UHFFFAOYSA-N
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Elements H C O