pyridazin-4-ol

• ChemBase ID: 67983
• Molecular Formular: C4H4N2O
• Molecular Mass: 96.08736
• Monoisotopic Mass: 96.03236276
• SMILES: c1c(ccnn1)O
• Canonical SMILES: Oc1ccnnc1
• InChI: InChI=1S/C4H4N2O/c7-4-1-2-5-6-3-4/h1-3H,(H,5,7)
• InChIKey: VHVUTJZQFZBIRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridazin-4-ol
• IUPAC Traditional name: pyridazin-4-ol
• Synonyms: 4-Hydroxypyridazine

Database IDs

• CAS Number: 20733-10-2
• MDL Number: MFCD00233967
• PubChem SID: 162033715
• PubChem CID: 565900

CALCULATED PROPERTIES

• Acid pKa: 9.606895
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5287716
• LogD (pH = 7.4): -0.5304031
• Log P: -0.5277619
• Molar Refractivity: 25.7453 cm^3
• Polarizability: 9.177942 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%