8-methoxyquinoline-2-carbaldehyde

• ChemBase ID: 119521
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: n1c2c(OC)cccc2ccc1C=O
• Canonical SMILES: COc1cccc2c1nc(C=O)cc2
• InChI: InChI=1S/C11H9NO2/c1-14-10-4-2-3-8-5-6-9(7-13)12-11(8)10/h2-7H,1H3
• InChIKey: WXFAZCYUMXZXBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxyquinoline-2-carbaldehyde
• IUPAC Traditional name: 8-methoxyquinoline-2-carbaldehyde
• Synonyms: 8-methoxyquinoline-2-carbaldehyde

Database IDs

• CAS Number: 103854-64-4
• MDL Number: MFCD05864557
• PubChem SID: 162107643
• PubChem CID: 1548870

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3602495
• LogD (pH = 7.4): 2.3602743
• Log P: 2.3602746
• Molar Refractivity: 52.6413 cm^3
• Polarizability: 21.377466 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.186

Product Information

• Purity: 95%; 98%