2-(6-Hydroxybenzofuran-3-yl)acetic acid

CAS: 69716-04-7

Ref. 3D-FH140857

Product Information

• Name: 2-(6-Hydroxybenzofuran-3-yl)acetic acid
• Synonyms: 6-Hydroxy-3-benzofuranacetic acid

Description

2-(6-Hydroxybenzofuran-3-yl)acetic acid is a supramolecular compound that can exist in two different conformations and has been shown to function as a chiral switch. The crystal structure of 2-(6-hydroxybenzofuran-3-yl)acetic acid was determined using x-ray diffraction techniques, which revealed that the molecule adopts a centrosymmetric conformation. This conformation is thermodynamically more stable than the other possible conformation, which is not centrosymmetric. Simulation studies have also predicted that this molecule has vibrational modes with an absorption spectrum that spans over a wide range of wavelengths and overlaps with the wavelength ranges of many dyes and fluorophores.

• Brand: Biosynth

Chemical properties

• Molecular weight: 192.17 g/mol
• Formula: C₁₀H₈O₄
• Purity: Min. 95%
• InChI: InChI=1S/C10H8O4/c11-7-1-2-8-6(3-10(12)13)5-14-9(8)4-7/h1-2,4-5,11H,3H2,(H,12,13)
• InChI key: InChIKey=ZEMXZWJZCWCPBM-UHFFFAOYSA-N
• SMILES: O=C(O)Cc1coc2cc(O)ccc12