6-ethoxyquinoline-2-carbaldehyde

• ChemBase ID: 306521
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: n1c2c(cc(cc2)OCC)ccc1C=O
• Canonical SMILES: CCOc1ccc2c(c1)ccc(n2)C=O
• InChI: InChI=1S/C12H11NO2/c1-2-15-11-5-6-12-9(7-11)3-4-10(8-14)13-12/h3-8H,2H2,1H3
• InChIKey: WRZJIHGBMXGHAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxyquinoline-2-carbaldehyde
• IUPAC Traditional name: 6-ethoxyquinoline-2-carbaldehyde
• Synonyms: 6-ethoxyquinoline-2-carbaldehyde

Database IDs

• CAS Number: 100063-12-5
• MDL Number: MFCD06824183

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.715654
• LogD (pH = 7.4): 2.7170646
• Log P: 2.7170825
• Molar Refractivity: 57.3899 cm^3
• Polarizability: 23.216402 Å^3
• Polar Surface Area: 39.19 Å^2