1H-indazol-7-ol

• ChemBase ID: 87333
• Molecular Formular: C7H6N2O
• Molecular Mass: 134.13534
• Monoisotopic Mass: 134.04801282
• SMILES: [nH]1c2c(cccc2cn1)O
• Canonical SMILES: Oc1cccc2c1[nH]nc2
• InChI: InChI=1S/C7H6N2O/c10-6-3-1-2-5-4-8-9-7(5)6/h1-4,10H,(H,8,9)
• InChIKey: VEDLFQPHHBOHIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazol-7-ol
• IUPAC Traditional name: 1H-indazol-7-ol
• Synonyms: 1H-Indazol-7-ol; 7-Hydroxy-1H-indazole; 1H-indazol-7-ol

Database IDs

• CAS Number: 81382-46-9
• MDL Number: MFCD00464298
• PubChem SID: 162074439
• PubChem CID: 21453601

CALCULATED PROPERTIES

• Acid pKa: 9.168672
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9925682
• LogD (pH = 7.4): 0.98547155
• Log P: 0.99274236
• Molar Refractivity: 38.054 cm^3
• Polarizability: 15.252088 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): 1.634

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 95%; 95+%; 98%