2,6-Bis(hydroxymethyl)-p-cresol

• CAS: 91-04-3
• Catalog Number: ACM-MO-91043
• Category: Other Products; Diol Monomers
• Molecular Weight: 168.19 g/mol
• Molecular Formula: C9H12O3
• Synonyms: 2,6-Bis(hydroxymethyl)-4-methylphenol;; 2,6-Dimethylol-p-cresol
• IUPAC Name: 2,6-bis(hydroxymethyl)-4-methylphenol
• 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: 126 °C
• Appearance: White to Yellow to Orange Powder to Crystal
• Complexity: 124
• Covalently-Bonded Unit Count: 1
• EC Number: 202-036-4
• Exact Mass: 168.078644g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Heavy Atom Count: 12
• Monoisotopic Mass: 168.078644g/mol
• NSC Number: 15838
• Physical State: Solid
• Rotatable Bond Count: 2
• UNII: Q99HT08S5N
• XLogP3: 0.7

Custom Q&A

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 CAS number of 2,6-Bis(hydroxymethyl)-p-cresol?

The CAS number is 91-04-3.

What is the XLogP3-AA value of 2,6-Bis(hydroxymethyl)-p-cresol?

The XLogP3-AA value is 0.7.

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

The hydrogen bond donor count is 3.