What is the molecular formula of 2,6-Bis(hydroxymethyl)-p-cresol?

The molecular formula is C9H12O3.

What is the molecular weight of 2,6-Bis(hydroxymethyl)-p-cresol?

The molecular weight is 168.19 g/mol.

What is the IUPAC name of 2,6-Bis(hydroxymethyl)-p-cresol?

The IUPAC name is 2,6-bis(hydroxymethyl)-4-methylphenol.

What is the InChI of 2,6-Bis(hydroxymethyl)-p-cresol?

The InChI is InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3.

What is the InChIKey of 2,6-Bis(hydroxymethyl)-p-cresol?

The InChIKey is KUMMBDBTERQYCG-UHFFFAOYSA-N.

What is the canonical SMILES of 2,6-Bis(hydroxymethyl)-p-cresol?

The canonical SMILES is CC1=CC(=C(C(=C1)CO)O)CO.

What is the hydrogen bond donor count of 2,6-Bis(hydroxymethyl)-p-cresol?

The hydrogen bond donor count is 3.

NAVIGATION

Products

2,6-Bis(Hydroxymethyl)-P-Cresol

Name: 2,6-Bis(Hydroxymethyl)-P-Cresol
SKU: ACM91043
Rating: 5 (1 reviews)

PRICE INQUIRY

Catalog NumberACM91043

CAS Number91-04-3

CategoryMonomers; Polymers

IUPAC Name

2,6-bis(hydroxymethyl)-4-methylphenol

Molecular Weight

168.19

Molecular Formula

C9H12O3

Canonical SMILES

CC1=CC(=C(C(=C1)CO)O)CO

InChI

InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3

InChI Key

KUMMBDBTERQYCG-UHFFFAOYSA-N

Melting Point

129.0 °C

Application

The purpose of 2,6-Bis(Hydroxymethyl)-P-Cresol is to serve as an effective bridging ligand in creating complex structures with metal compounds. Notably, it plays a crucial role in the formation of binuclear oxovanadium(V) compounds, which can transform into oligomeric forms when exposed to white light and oxygen. Furthermore, this ligand interacts with titanium(IV) alkoxides, facilitating the formation of stable tetranuclear complexes. Such complexes leverage the molecular geometry of 2,6-Bis(Hydroxymethyl)-P-Cresol to ensure a perfect alignment with the octahedral structures of titanium, resulting in a robust framework where the ligand acts as chelating, chelating-bridging, or tridentate units.

Complexity

124

Covalently-Bonded Unit Count

EC Number

202-036-4

Exact Mass

168.078644g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

168.078644g/mol

NSC Number