3,7-Dimethyl-Hydroxy-6-Methoxyisochroman

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Properties Simple | Detailed

Formula C12H16O3
IUPAC Name (3r)-6-methoxy-3,7-dimethyl-isochroman-8-ol
Molecular Mass 208.254 g·mol−1
Heat of Formation -519.1 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 252.03 Å 3
Surface Area 238.48 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-6-methoxy-3,7-dimethyl-8-isochromanol
  • (3r)-6-methoxy-3,7-dimethyl-isochroman-8-ol
  • (3r)-6-methoxy-3,7-dimethylisochroman-8-ol
InChIKey OQMJILQCXYKZEM-SSDOTTSWSA-N
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Elements H C O