(1S,2R,3S)-1-(1,3-Benzodioxol-5-Yl)-3-[2-(2-Hydroxyethoxy)-4-Methoxyphenyl]-5-Propoxy-2-Indanecarboxylic Acid

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Formula C29H30O8
IUPAC Name (1s,2r,3s)-1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid
Molecular Mass 506.544 g·mol−1
Heat of Formation -1133.2 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 587.33 Å 3
Surface Area 487.25 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3s)-1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-4-methoxy-phenyl]-5-propoxy-2,3-dihydro-1h-indene-2-carboxylic acid
  • (1s,2r,3s)-1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid
  • (1s,2r,3s)-1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1h-indene-2-carboxylic acid
  • pdsp2_001716
CAS Number(s)
  • 167256-08-8
InChIKey GLCKXJLCYIJMRB-UPRLRBBYSA-N
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