8-hydroxy-2-methylquinoline-7-carbaldehyde

• ChemBase ID: 287801
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: O=Cc1ccc2ccc(C)nc2c1O
• Canonical SMILES: O=Cc1ccc2c(c1O)nc(cc2)C
• InChI: InChI=1S/C11H9NO2/c1-7-2-3-8-4-5-9(6-13)11(14)10(8)12-7/h2-6,14H,1H3
• InChIKey: SEBSWWFAYYLUHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydroxy-2-methylquinoline-7-carbaldehyde
• IUPAC Traditional name: 8-hydroxy-2-methylquinoline-7-carbaldehyde
• Synonyms: 8-Hydroxy-2-methylquinoline-7-carbaldehyde

Database IDs

• CAS Number: 13796-76-4
• PubChem SID: 180673332
• PubChem CID: 15903008

CALCULATED PROPERTIES

• Acid pKa: 8.062945
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3041773
• LogD (pH = 7.4): 2.234564
• Log P: 2.3212078
• Molar Refractivity: 53.1357 cm^3
• Polarizability: 21.218922 Å^3
• Polar Surface Area: 50.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%