(2S)-Hydroxy(3-Phenoxyphenyl)Acetonitrile

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Properties Simple | Detailed

Formula C14H11NO2
IUPAC Name (2s)-2-hydroxy-2-(3-phenoxyphenyl)acetonitrile
Molecular Mass 225.243 g·mol−1
Heat of Formation 8.2 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 272.32 Å 3
Surface Area 256.32 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-hydroxy-2-[3-(phenoxy)phenyl]acetonitrile
  • (2s)-2-hydroxy-2-[3-(phenoxy)phenyl]ethanenitrile
InChIKey GXUQMKBQDGPMKZ-CQSZACIVSA-N
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