8-hydroxy-5,7-dimethylquinoline-2-carbaldehyde

• ChemBase ID: 310626
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: c12nc(C=O)ccc1c(cc(c2O)C)C
• Canonical SMILES: O=Cc1ccc2c(n1)c(O)c(cc2C)C
• InChI: InChI=1S/C12H11NO2/c1-7-5-8(2)12(15)11-10(7)4-3-9(6-14)13-11/h3-6,15H,1-2H3
• InChIKey: XEIMFKGDSXIMHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydroxy-5,7-dimethylquinoline-2-carbaldehyde
• IUPAC Traditional name: 8-hydroxy-5,7-dimethylquinoline-2-carbaldehyde
• Synonyms: 8-hydroxy-5,7-dimethylquinoline-2-carbaldehyde

Database IDs

• CAS Number: 6563-24-2
• MDL Number: MFCD00168963

CALCULATED PROPERTIES

• Polarizability: 22.988346 Å^3
• Polar Surface Area: 50.19 Å^2
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2237053
• LogD (pH = 7.4): 3.2348595
• Log P: 3.2412233
• Molar Refractivity: 58.2414 cm^3