5,6-dimethoxy-1H-indazole

• ChemBase ID: 809014
• Molecular Formular: C9H10N2O2
• Molecular Mass: 178.1879
• Monoisotopic Mass: 178.07422757
• SMILES: c1n[nH]c2cc(c(cc12)OC)OC
• Canonical SMILES: COc1cc2[nH]ncc2cc1OC
• InChI: InChI=1S/C9H10N2O2/c1-12-8-3-6-5-10-11-7(6)4-9(8)13-2/h3-5H,1-2H3,(H,10,11)
• InChIKey: HGEDPIMZZWIYDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethoxy-1H-indazole
• IUPAC Traditional name: 5,6-dimethoxy-1H-indazole
• Synonyms: 5,6-DIMETHOXY-1H-INDAZOLE

Database IDs

• CAS Number: 7746-30-7

CALCULATED PROPERTIES

• Acid pKa: 13.4971
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.98091745
• LogD (pH = 7.4): 0.98096424
• Log P: 0.98096514
• Molar Refractivity: 48.9995 cm^3
• Polarizability: 19.669378 Å^3
• Polar Surface Area: 47.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%