6-methoxyquinolin-8-ol

• ChemBase ID: 52801
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: c1c(cc2c(c1O)nccc2)OC
• Canonical SMILES: COc1cc(O)c2c(c1)cccn2
• InChI: InChI=1S/C10H9NO2/c1-13-8-5-7-3-2-4-11-10(7)9(12)6-8/h2-6,12H,1H3
• InChIKey: NAKFRQULMGLXBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinolin-8-ol
• IUPAC Traditional name: 6-methoxyquinolin-8-ol
• Synonyms: 6-Methoxyquinolin-8-ol

Database IDs

• CAS Number: 477601-28-8
• MDL Number: MFCD09263467
• PubChem SID: 162057564
• PubChem CID: 18009170

CALCULATED PROPERTIES

• Acid pKa: 8.688246
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6533515
• LogD (pH = 7.4): 1.6471549
• Log P: 1.6696639
• Molar Refractivity: 48.4234 cm^3
• Polarizability: 20.077082 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%