2-Hydroxy-1-(4-Hydroxy-3-Methoxyphenyl)Ethyl Hydrogen Sulfate

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Properties Simple | Detailed

Formula C9H12O7S
IUPAC Name [(1s)-2-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)ethyl] hydrogen sulfate
Molecular Mass 264.252 g·mol−1
Heat of Formation -1141.4 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 275.62 Å 3
Surface Area 251.55 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
InChIKey SBKADJXSGGTEPN-SECBINFHSA-N
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