acridine-9-carbaldehyde

• ChemBase ID: 118125
• Molecular Formular: C14H9NO
• Molecular Mass: 207.22736
• Monoisotopic Mass: 207.06841391
• SMILES: n1c2c(c(c3c1cccc3)C=O)cccc2
• Canonical SMILES: O=Cc1c2ccccc2nc2c1cccc2
• InChI: InChI=1S/C14H9NO/c16-9-12-10-5-1-3-7-13(10)15-14-8-4-2-6-11(12)14/h1-9H
• InChIKey: ISOCABSXIKQOOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acridine-9-carbaldehyde
• IUPAC Traditional name: acridine-9-carbaldehyde
• Synonyms: acridine-9-carbaldehyde

Database IDs

• CAS Number: 885-23-4
• MDL Number: MFCD00616515
• PubChem SID: 162098587
• PubChem CID: 98663

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1629207
• LogD (pH = 7.4): 3.2179787
• Log P: 3.21873
• Molar Refractivity: 62.6415 cm^3
• Polarizability: 26.530653 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.465

Product Information

• Purity: 95+%