(1-methyl-1H-indazol-3-yl)methanol

• ChemBase ID: 87975
• Molecular Formular: C9H10N2O
• Molecular Mass: 162.1885
• Monoisotopic Mass: 162.07931295
• SMILES: n1c(c2c(cccc2)n1C)CO
• Canonical SMILES: OCc1nn(c2c1cccc2)C
• InChI: InChI=1S/C9H10N2O/c1-11-9-5-3-2-4-7(9)8(6-12)10-11/h2-5,12H,6H2,1H3
• InChIKey: KMEYZHACDFMRCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-indazol-3-yl)methanol
• IUPAC Traditional name: (1-methylindazol-3-yl)methanol
• Synonyms: (1-Methyl-1H-indazol-3-yl)methanol; (1-Methyl-1H-indazol-3-yl)methanol; 3-(Hydroxymethyl)-1-methyl-1H-indazole 97%

Database IDs

• CAS Number: 1578-96-7
• MDL Number: MFCD08060470
• PubChem SID: 162075015
• PubChem CID: 7164546

CALCULATED PROPERTIES

• Acid pKa: 14.337985
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7341031
• LogD (pH = 7.4): 0.73410577
• Log P: 0.7341059
• Molar Refractivity: 57.5828 cm^3
• Polarizability: 18.86999 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 128°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95+%