3,5-dimethoxypyridazine

• ChemBase ID: 797413
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: n1nc(cc(c1)OC)OC
• Canonical SMILES: COc1cnnc(c1)OC
• InChI: InChI=1S/C6H8N2O2/c1-9-5-3-6(10-2)8-7-4-5/h3-4H,1-2H3
• InChIKey: JTMOTKXYVAQITD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethoxypyridazine
• IUPAC Traditional name: 3,5-dimethoxypyridazine
• Synonyms: 3,5-DiMethoxypyridazine

Database IDs

• CAS Number: 2096-20-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.054850653
• LogD (pH = 7.4): 0.05491758
• Log P: 0.054918434
• Molar Refractivity: 37.0043 cm^3
• Polarizability: 13.62927 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%