1H-indazol-4-ylmethanol

• ChemBase ID: 87414
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: n1cc2c(cccc2[nH]1)CO
• Canonical SMILES: OCc1cccc2c1cn[nH]2
• InChI: InChI=1S/C8H8N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h1-4,11H,5H2,(H,9,10)
• InChIKey: LOOWJTAKSUNLSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazol-4-ylmethanol; (1H-indazol-4-yl)methanol
• IUPAC Traditional name: 1H-indazol-4-ylmethanol
• Synonyms: (1H-Indazol-4-yl)methanol; 4-(Hydroxymethyl)-1H-indazole; (1H-indazol-4-yl)methanol

Database IDs

• CAS Number: 709608-85-5
• MDL Number: MFCD11052642
• PubChem SID: 162074505
• PubChem CID: 22661249

CALCULATED PROPERTIES

• Acid pKa: 11.981933
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.52894074
• LogD (pH = 7.4): 0.52894664
• Log P: 0.5289579
• Molar Refractivity: 42.889 cm^3
• Polarizability: 17.104786 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%