6-{3-[(3S,5S,7S)-Adamantan-1-Yl]-4-Hydroxyphenyl}-2-Naphthoic Acid

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Properties Simple | Detailed

Formula C27H26O3
IUPAC Name 6-[3-(1-adamantyl)-4-hydroxy-phenyl]naphthalene-2-carboxylic acid
Molecular Mass 398.494 g·mol−1
Heat of Formation -404.2 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 468.11 Å 3
Surface Area 398.17 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey LDGIHZJOIQSHPB-HYVKCOOLSA-N
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Elements H C O