1-[(3S,4R)-3-(4-Biphenylylmethyl)-4-Hydroxy-3,4-Dihydro-2H-Chromen-7-Yl]Cyclopentanecarboxylic Acid

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Properties Simple | Detailed

Formula C28H28O4
IUPAC Name 1-[(3s,4r)-4-hydroxy-3-[(4-phenylphenyl)methyl]chroman-7-yl]cyclopentanecarboxylic acid
Molecular Mass 428.520 g·mol−1
Heat of Formation -528.9 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 517.54 Å 3
Surface Area 442.54 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3s,4r)-4-hydroxy-3-(4-phenylbenzyl)chroman-7-yl]cyclopentane-1-carboxylic acid
  • 1-[(3s,4r)-4-hydroxy-3-[(4-phenylphenyl)methyl]-7-chromanyl]-1-cyclopentanecarboxylic acid
InChIKey KMNLXCBYBKHKSK-BKMJKUGQSA-N
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