91-04-3 | 2,6-Bis(hydroxymethyl)-p-cresol

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$13.00	$9.00
25g	95%	in stock	$33.00	$23.00
100g	95%	in stock	$73.00	$51.00
500g	95%	in stock	$249.00	$175.00

Description

• Catalog Number: AB43686
• Chemical Name: 2,6-Bis(hydroxymethyl)-p-cresol
• CAS Number: 91-04-3
• Molecular Formula: C9H12O3
• Molecular Weight: 168.1898
• MDL Number: MFCD00004619
• SMILES: OCc1cc(C)cc(c1O)CO
• NSC Number: 15838

Computed Properties

• Complexity: 124
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 0.7

Literature

• Single crystal-to-single crystal irreversible transformation from a discrete vanadium(V)-alcoholate to an aldehydic-vanadium(IV) oligomer.

  Journal of the American Chemical Society 20101117

• Azide groups in higher oxidation state manganese cluster chemistry: from structural aesthetics to single-molecule magnets.

  Inorganic chemistry 20090420

• A nontwisted, ferromagnetically coupled Mn(III)3O triangular complex from the use of 2,6-bis(hydroxymethyl)-p-cresol.

  Inorganic chemistry 20090202

• Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-R-phenol, with R = methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl.

  Acta crystallographica. Section C, Crystal structure communications 20020901

• Molecular recognition of titanium(IV) alkoxides by 2,6-bis(hydroxymethyl)-p-cresol in the crystal engineering of hybrid organic-inorganic networks.

  Journal of the American Chemical Society 20010613