1H-indazol-4-ol

• ChemBase ID: 64428
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: c12c([nH]nc1)cccc2O
• Canonical SMILES: Oc1cccc2c1cn[nH]2
• InChI: InChI=1S/C7H6N2O/c10-7-3-1-2-6-5(7)4-8-9-6/h1-4,10H,(H,8,9)
• InChIKey: MPFDHICUUKUXLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazol-4-ol
• IUPAC Traditional name: 1H-indazol-4-ol
• Synonyms: 1H-indazol-4-ol; 1H-Indazol-4-ol; 4-Hydroxy-1H-indazole

Database IDs

• CAS Number: 81382-45-8
• MDL Number: MFCD06858736
• PubChem SID: 162030167
• PubChem CID: 12068457

CALCULATED PROPERTIES

• Acid pKa: 8.795614
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.99249005
• LogD (pH = 7.4): 0.9757415
• Log P: 0.99274236
• Molar Refractivity: 38.054 cm^3
• Polarizability: 15.249606 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): 1.634

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 98%