(2S)-2-(4-{[(1R)-2-Oxocyclopentyl]Methyl}Phenyl)Propanoic Acid

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Formula C15H18O3
IUPAC Name (2s)-2-[4-[[(1r)-2-oxocyclopentyl]methyl]phenyl]propanoic acid
Molecular Mass 246.302 g·mol−1
Heat of Formation -565.4 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 310.11 Å 3
Surface Area 282.03 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
InChIKey YMBXTVYHTMGZDW-GXFFZTMASA-N
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