Centalun

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Properties Simple | Detailed

Formula C11H12O2
IUPAC Name (1r,2r)-2-methyl-1-phenyl-but-3-yne-1,2-diol
Molecular Mass 176.212 g·mol−1
Heat of Formation -75.8 ± 16.7 kJ·mol−1
Dipole Moment 0.67 ± 1.08 D
Volume 175.07 Å 3
Surface Area 161.99 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 3.11 ± eV
Point Group Symmetry C1
InChIKey GQOXDWHRXDPZJK-GHMZBOCLSA-N
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