(2S)-6-(2-Hydroxyethyl)-2-(Hydroxymethyl)-2,5,7-Trimethyl-1-Indanone

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Properties Simple | Detailed

Formula C15H20O3
IUPAC Name (2s)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-indan-1-one
Molecular Mass 248.317 g·mol−1
Heat of Formation -591.9 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 310.73 Å 3
Surface Area 274.43 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-6-(2-hydroxyethyl)-2,5,7-trimethyl-2-methylol-indan-1-one
  • (2s)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3h-inden-1-one
  • (2s)-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-indan-1-one
  • 1h-inden-1-one, 2,3-dihydro-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-, (s)-
CAS Number(s)
  • 35910-16-8
InChIKey BDZJLPDYMKPKGC-HNNXBMFYSA-N
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