acridin-4-ol

• ChemBase ID: 294439
• Molecular Formular: C13H9NO
• Molecular Mass: 195.21666
• Monoisotopic Mass: 195.06841391
• SMILES: Oc1cccc2cc3ccccc3nc12
• Canonical SMILES: Oc1cccc2c1nc1ccccc1c2
• InChI: InChI=1S/C13H9NO/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14-13(10)12/h1-8,15H
• InChIKey: HOYZEVWRZVPHEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acridin-4-ol
• IUPAC Traditional name: acridin-4-ol
• Synonyms: Acridin-4-ol

Database IDs

• CAS Number: 18123-20-1
• MDL Number: MFCD00042743
• PubChem SID: 180679970
• PubChem CID: 87462

CALCULATED PROPERTIES

• Acid pKa: 10.085529
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0486007
• LogD (pH = 7.4): 3.1991928
• Log P: 3.2026622
• Molar Refractivity: 58.0384 cm^3
• Polarizability: 25.240753 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%