7-methoxyquinoline

• ChemBase ID: 173157
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c1ccc2c(n1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)nccc2
• InChI: InChI=1S/C10H9NO/c1-12-9-5-4-8-3-2-6-11-10(8)7-9/h2-7H,1H3
• InChIKey: IVHJSNNMKJWPFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxyquinoline
• IUPAC Traditional name: 7-methoxyquinoline
• Synonyms: 7-Methoxyquinoline

Database IDs

• CAS Number: 4964-76-5
• PubChem SID: 164229067
• PubChem CID: 78666

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8900286
• LogD (pH = 7.4): 1.9720647
• Log P: 1.9732292
• Molar Refractivity: 46.4425 cm^3
• Polarizability: 19.515991 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Yellow Oil

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 95+%