1H-imidazol-2-ol

• ChemBase ID: 803929
• Molecular Formular: C3H4N2O
• Molecular Mass: 84.07666
• Monoisotopic Mass: 84.03236276
• SMILES: [nH]1c(ncc1)O
• Canonical SMILES: Oc1ncc[nH]1
• InChI: InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
• InChIKey: AICIYIDUYNFPRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-imidazol-2-ol
• IUPAC Traditional name: 1H-imidazol-2-ol
• Synonyms: 1H-IMIDAZOL-2-OL

Database IDs

• CAS Number: 82358-14-3

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 10.71522
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.2001065
• LogD (pH = 7.4): 0.2347852
• Log P: 0.23546048
• Molar Refractivity: 20.467 cm^3
• Polarizability: 7.8003187 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0

PROPERTIES

Product Information

• Purity: 98%