(6-methylpyridazin-3-yl)methanol

• ChemBase ID: 806460
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: C(O)c1nnc(cc1)C
• Canonical SMILES: Cc1ccc(nn1)CO
• InChI: InChI=1S/C6H8N2O/c1-5-2-3-6(4-9)8-7-5/h2-3,9H,4H2,1H3
• InChIKey: FBXMCKLYDLEXMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylpyridazin-3-yl)methanol
• IUPAC Traditional name: (6-methylpyridazin-3-yl)methanol
• Synonyms: (6-METHYLPYRIDAZIN-3-YL)METHANOL

Database IDs

• CAS Number: 848774-93-6

CALCULATED PROPERTIES

• Acid pKa: 14.037914
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7793035
• LogD (pH = 7.4): -0.7787119
• Log P: -0.7787043
• Molar Refractivity: 34.6496 cm^3
• Polarizability: 12.776163 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%