3,6-dimethoxy-4-methylpyridazine

• ChemBase ID: 239959
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: n1nc(cc(c1OC)C)OC
• Canonical SMILES: COc1nnc(c(c1)C)OC
• InChI: InChI=1S/C7H10N2O2/c1-5-4-6(10-2)8-9-7(5)11-3/h4H,1-3H3
• InChIKey: FODLXNPPUWRDEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dimethoxy-4-methylpyridazine
• IUPAC Traditional name: 3,6-dimethoxy-4-methylpyridazine
• Synonyms: 3,6-dimethoxy-4-methylpyridazine

Database IDs

• MDL Number: MFCD09959871
• PubChem SID: 164295869
• PubChem CID: 33778368

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1627953
• LogD (pH = 7.4): 1.1627973
• Log P: 1.1627973
• Molar Refractivity: 42.359 cm^3
• Polarizability: 15.388976 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.156

Product Information

• Purity: 95%