furan-2-yl(2H2)methanol

• ChemBase ID: 169515
• Molecular Formular: C5H6O2
• Molecular Mass: 98.09994
• Monoisotopic Mass: 98.03677943
• SMILES: c1cc(oc1)CO
• Canonical SMILES: OCc1ccco1
• InChI: InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
• InChIKey: XPFVYQJUAUNWIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-yl(^2H₂)methanol
• IUPAC Traditional name: furan-2-yl(^2H₂)methanol
• Synonyms: 2-Furanmethan-α,α-d2-ol; 2-Furanmethanol-d2; 2-(Hydroxymethyl)furan-d2; 2-Furancarbinol-d2; 2-Furanylmethanol-d2; 2-Furfuryl-d2 Alcohol; 2-Furylcarbinol-d2; 2-Furylmethanol-d2; 2-Furylmethyl-d2 Alcohol; 5-Hydroxymethylfuran-d2; Chem-Rez 200-d2; Furfuralcohol-d2; Furfuranol-d2; Furylcarbinol-d2; NSC 8843-d2; α-Furfuryl-d2 Alcohol; α-Furylcarbinol-d2; Furfuryl Alcohol-d2

Database IDs

• CAS Number: 109930-25-8
• PubChem SID: 162263647
• PubChem CID: 12210722

CALCULATED PROPERTIES

• Acid pKa: 13.748643
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2661427
• LogD (pH = 7.4): 0.2661425
• Log P: 0.2661427
• Molar Refractivity: 25.2648 cm^3
• Polarizability: 9.6747265 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - F864222

Labelled Furfuryl Alcohol (F864220). Furfuryl Alcohol has been obtained by yeast reduction of furfural. Furfuryl Alcohol is used as solvent and in the manufacturing of wetting agents, resins.