3-methyl-1H-indazol-7-ol

• ChemBase ID: 70860
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: [nH]1nc(c2cccc(c12)O)C
• Canonical SMILES: Oc1cccc2c1[nH]nc2C
• InChI: InChI=1S/C8H8N2O/c1-5-6-3-2-4-7(11)8(6)10-9-5/h2-4,11H,1H3,(H,9,10)
• InChIKey: BOPBKEWPSKGMSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1H-indazol-7-ol
• IUPAC Traditional name: 3-methyl-1H-indazol-7-ol
• Synonyms: 3-Methyl-1H-indazol-7-ol

Database IDs

• CAS Number: 1131595-36-2
• MDL Number: MFCD11109856
• PubChem SID: 162036568
• PubChem CID: 46835384

CALCULATED PROPERTIES

• Acid pKa: 9.227375
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1233419
• LogD (pH = 7.4): 1.117731
• Log P: 1.1241125
• Molar Refractivity: 42.6455 cm^3
• Polarizability: 17.015276 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%