2-(3-Hydroxypropyl)-4,6,7-Trimethyl-1,3-Benzoxathiol-5-Ol

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Properties Simple | Detailed

Formula C13H18O3S
IUPAC Name (2s)-2-(3-hydroxypropyl)-4,6,7-trimethyl-1,3-benzoxathiol-5-ol
Molecular Mass 254.345 g·mol−1
Heat of Formation -545.7 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 304.02 Å 3
Surface Area 278.53 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
InChIKey NFFALUZFTIOAOV-JTQLQIEISA-N
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