4-hydroxyquinoline-2-carbaldehyde

• ChemBase ID: 307327
• Molecular Formular: C10H7NO2
• Molecular Mass: 173.16808
• Monoisotopic Mass: 173.04767847
• SMILES: n1c2c(c(cc1C=O)O)cccc2
• Canonical SMILES: O=Cc1cc(O)c2c(n1)cccc2
• InChI: InChI=1S/C10H7NO2/c12-6-7-5-10(13)8-3-1-2-4-9(8)11-7/h1-6H,(H,11,13)
• InChIKey: PCPFJNLCUUEVDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxyquinoline-2-carbaldehyde
• IUPAC Traditional name: 4-hydroxyquinoline-2-carbaldehyde
• Synonyms: 4-hydroxyquinoline-2-carbaldehyde

Database IDs

• CAS Number: 168141-99-9
• MDL Number: MFCD06408352

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2141
• LogD (pH = 7.4): 2.2120967
• Log P: 2.2143805
• Molar Refractivity: 48.159 cm^3
• Polarizability: 19.453434 Å^3
• Polar Surface Area: 50.19 Å^2