7-methoxyquinoline-3-carbaldehyde

• ChemBase ID: 806254
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: c1(cc2c(cc1)cc(cn2)C=O)OC
• Canonical SMILES: COc1ccc2c(c1)ncc(c2)C=O
• InChI: InChI=1S/C11H9NO2/c1-14-10-3-2-9-4-8(7-13)6-12-11(9)5-10/h2-7H,1H3
• InChIKey: WBGGEFMEZDJKID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxyquinoline-3-carbaldehyde
• IUPAC Traditional name: 7-methoxyquinoline-3-carbaldehyde
• Synonyms: 7-METHOXYQUINOLINE-3-CARBALDEHYDE

Database IDs

• CAS Number: 72808-91-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6800977
• LogD (pH = 7.4): 1.6856601
• Log P: 1.6857315
• Molar Refractivity: 53.0265 cm^3
• Polarizability: 21.366087 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%