1-benzofuran-6-ol

• ChemBase ID: 799461
• Molecular Formular: C8H6O2
• Molecular Mass: 134.13204
• Monoisotopic Mass: 134.03677943
• SMILES: o1ccc2ccc(cc12)O
• Canonical SMILES: Oc1ccc2c(c1)occ2
• InChI: InChI=1S/C8H6O2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,9H
• InChIKey: UVJMVWURCUYFFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzofuran-6-ol
• IUPAC Traditional name: 1-benzofuran-6-ol
• Synonyms: benzofuran-6-ol

Database IDs

• CAS Number: 13196-11-7

CALCULATED PROPERTIES

• Acid pKa: 9.123883
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8287014
• LogD (pH = 7.4): 1.8207333
• Log P: 1.8288039
• Molar Refractivity: 36.88 cm^3
• Polarizability: 15.313911 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%