3-methoxypyridazine

• ChemBase ID: 67982
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1(cccnn1)OC
• Canonical SMILES: COc1cccnn1
• InChI: InChI=1S/C5H6N2O/c1-8-5-3-2-4-6-7-5/h2-4H,1H3
• InChIKey: ASFHDLDAWYTMJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxypyridazine
• IUPAC Traditional name: pyridazine, 3-methoxy-
• Synonyms: 3-Methoxypyridazine

Database IDs

• CAS Number: 19064-65-4
• MDL Number: MFCD00234098
• PubChem SID: 162033714
• PubChem CID: 292493

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.21255511
• LogD (pH = 7.4): 0.21258926
• Log P: 0.2125897
• Molar Refractivity: 30.5411 cm^3
• Polarizability: 11.081212 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%