quinoline-7-carbaldehyde

• ChemBase ID: 34330
• Molecular Formular: C10H7NO
• Molecular Mass: 157.16868
• Monoisotopic Mass: 157.05276385
• SMILES: c1c(cc2c(c1)cccn2)C=O
• Canonical SMILES: O=Cc1ccc2c(c1)nccc2
• InChI: InChI=1S/C10H7NO/c12-7-8-3-4-9-2-1-5-11-10(9)6-8/h1-7H
• InChIKey: WINWAFCAQPFBQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoline-7-carbaldehyde
• IUPAC Traditional name: quinoline-7-carbaldehyde
• Synonyms: Quinoline-7-carbaldehyde; 7-quinolinecarbaldehyde

Database IDs

• CAS Number: 49573-30-0
• MDL Number: MFCD01366121
• PubChem SID: 160997637
• PubChem CID: 4712255

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8424168
• LogD (pH = 7.4): 1.8433903
• Log P: 1.8434029
• Molar Refractivity: 46.5633 cm^3
• Polarizability: 18.886436 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%