3-methoxy-1H-indazole

• ChemBase ID: 291870
• Molecular Formular: C8H8N2O
• Molecular Mass: 148.16192
• Monoisotopic Mass: 148.06366289
• SMILES: COc1n[nH]c2ccccc12
• Canonical SMILES: COc1n[nH]c2c1cccc2
• InChI: InChI=1S/C8H8N2O/c1-11-8-6-4-2-3-5-7(6)9-10-8/h2-5H,1H3,(H,9,10)
• InChIKey: DHIHZLGSYHTLMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-1H-indazole
• IUPAC Traditional name: 3-methoxy-1H-indazole
• Synonyms: 3-Methoxy-1H-indazole

Database IDs

• CAS Number: 1848-41-5
• PubChem SID: 180677401
• PubChem CID: 519581

CALCULATED PROPERTIES

• Acid pKa: 13.657332
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.733092
• LogD (pH = 7.4): 1.7330937
• Log P: 1.733094
• Molar Refractivity: 42.8498 cm^3
• Polarizability: 17.17422 Å^3
• Polar Surface Area: 37.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%