(2S)-2,3-Dihydroxy-2-Phenylpropanoic Acid

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Properties Simple | Detailed

Formula C9H10O4
IUPAC Name (2s)-2,3-dihydroxy-2-phenyl-propanoic acid
Molecular Mass 182.173 g·mol−1
Heat of Formation -646.5 ± 16.7 kJ·mol−1
Dipole Moment 1.99 ± 1.08 D
Volume 209.36 Å 3
Surface Area 198.25 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2,3-dihydroxy-2-phenyl-propanoic acid
  • (2s)-2,3-dihydroxy-2-phenyl-propionic acid
  • anisodinic acid
  • benzeneacetic acid, alpha-hydroxy-alpha-(hydroxymethyl)-, (s)-
CAS Number(s)
  • 85700-56-7
InChIKey IWEPXSFVSUOTLW-SECBINFHSA-N
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