2-[(1R)-1-Carboxy-2-(4-Hydroxyphenyl)Ethyl]-1,3-Dioxo-5-Isoindolinecarboxylic Acid

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Properties Simple | Detailed

Formula C18H13NO7
IUPAC Name 2-[(1r)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid
Molecular Mass 355.298 g·mol−1
Heat of Formation -1016.0 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 389.01 Å 3
Surface Area 331.12 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1r)-2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]-1,3-diketo-isoindoline-5-carboxylic acid
  • 2-[(1r)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid
  • 2-[(1r)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-1,3-dioxo-5-isoindolinecarboxylic acid
  • 2-[(2r)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxo-propan-2-yl]-1,3-dioxo-isoindole-5-carboxylic acid
  • 2-[(2r)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1,3-dioxoisoindole-5-carboxylic acid
InChIKey QISJEFYTLZTWIQ-CQSZACIVSA-N
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