quinazolin-8-ol

• ChemBase ID: 288982
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: Oc1c2ncncc2ccc1
• Canonical SMILES: Oc1cccc2c1ncnc2
• InChI: InChI=1S/C8H6N2O/c11-7-3-1-2-6-4-9-5-10-8(6)7/h1-5,11H
• InChIKey: LNNRQIKKDKDFRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinazolin-8-ol
• IUPAC Traditional name: 8-quinazolinol
• Synonyms: Quinazolin-8-ol

Database IDs

• CAS Number: 7557-02-0
• MDL Number: MFCD00956156
• PubChem SID: 180674513
• PubChem CID: 589691

CALCULATED PROPERTIES

• Acid pKa: 9.027134
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1213078
• LogD (pH = 7.4): 1.1114445
• Log P: 1.1214973
• Molar Refractivity: 40.7814 cm^3
• Polarizability: 16.67322 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%