quinazolin-5-ol

• ChemBase ID: 816235
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: c1ccc2ncncc2c1O
• Canonical SMILES: Oc1cccc2c1cncn2
• InChI: InChI=1S/C8H6N2O/c11-8-3-1-2-7-6(8)4-9-5-10-7/h1-5,11H
• InChIKey: ATQUABCIJINPMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinazolin-5-ol
• IUPAC Traditional name: quinazolin-5-ol
• Synonyms: QUINAZOLIN-5-OL

Database IDs

• CAS Number: 7556-88-9

CALCULATED PROPERTIES

• Acid pKa: 7.5007586
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1163057
• LogD (pH = 7.4): 0.87022215
• Log P: 1.1214973
• Molar Refractivity: 40.7814 cm^3
• Polarizability: 16.667967 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%