(1S,2R)-1-Ethyl-7-Methoxy-2-Methyl-1,2,3,4-Tetrahydro-2-Phenanthrenecarboxylic Acid

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Properties Simple | Detailed

Formula C19H22O3
IUPAC Name (1s,2r)-1-ethyl-7-methoxy-2-methyl-3,4-dihydro-1h-phenanthrene-2-carboxylic acid
Molecular Mass 298.376 g·mol−1
Heat of Formation -505.9 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 365.77 Å 3
Surface Area 313.33 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r)-1-ethyl-7-methoxy-2-methyl-3,4-dihydro-1h-phenanthrene-2-carboxylic acid
  • cis-1-ethyl-1,2,3,4-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid
InChIKey HZZSXUIUESWVSS-PKOBYXMFSA-N
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