(2S)-3-(3,4-Dihydroxyphenyl)-2-Hydroxypropanoic Acid

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Properties Simple | Detailed

Formula C9H10O5
IUPAC Name (2s)-3-(3,4-dihydroxyphenyl)-2-hydroxy-propanoic acid
Molecular Mass 198.173 g·mol−1
Heat of Formation -860.9 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 222.01 Å 3
Surface Area 215.0 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(3,4-dihydroxyphenyl)-2-hydroxy-propanoic acid
  • (2s)-3-(3,4-dihydroxyphenyl)-2-hydroxy-propionic acid
CAS Number(s)
  • 42085-50-7
InChIKey PAFLSMZLRSPALU-QMMMGPOBSA-N
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Elements H C O