(2R)-2-{(1R,3R)-1,3-Dimethoxy-5-[(1S)-1,3,3-Trimethylcyclohexyl]-1,3-Dihydro-2-Benzofuran-4-Yl}Propanoic Acid

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Formula C22H32O5
IUPAC Name (2r)-2-[(1r,3r)-1,3-dimethoxy-5-[(1s)-1,3,3-trimethylcyclohexyl]-1,3-dihydroisobenzofuran-4-yl]propanoic acid
Molecular Mass 376.486 g·mol−1
Heat of Formation -961.0 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 468.98 Å 3
Surface Area 358.98 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(1r,3r)-1,3-dimethoxy-5-[(1s)-1,3,3-trimethylcyclohexyl]-1,3-dihydro-2-benzofuran-4-yl]propanoic acid
  • (2r)-2-[(1r,3r)-1,3-dimethoxy-5-[(1s)-1,3,3-trimethylcyclohexyl]-1,3-dihydroisobenzofuran-4-yl]propanoic acid
  • (2r)-2-[(1r,3r)-1,3-dimethoxy-5-[(1s)-1,3,3-trimethylcyclohexyl]-1,3-dihydroisobenzofuran-4-yl]propionic acid
InChIKey GRCQGWSFSFNRFC-JRQYZAASSA-N
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