ethyl 3-hydroxypyridazine-4-carboxylate

• ChemBase ID: 288245
• Molecular Formular: C7H8N2O3
• Molecular Mass: 168.15002
• Monoisotopic Mass: 168.05349213
• SMILES: CCOC(=O)c1c(O)nncc1
• Canonical SMILES: CCOC(=O)c1ccnnc1O
• InChI: InChI=1S/C7H8N2O3/c1-2-12-7(11)5-3-4-8-9-6(5)10/h3-4H,2H2,1H3,(H,9,10)
• InChIKey: IIAVVOGGKSJORS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-hydroxypyridazine-4-carboxylate
• IUPAC Traditional name: ethyl 3-hydroxypyridazine-4-carboxylate
• Synonyms: Ethyl 3-hydroxypyridazine-4-carboxylate

Database IDs

• CAS Number: 1445-55-2
• PubChem SID: 180673776
• PubChem CID: 12376255

CALCULATED PROPERTIES

• Acid pKa: 8.074311
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0758418
• LogD (pH = 7.4): 0.9952567
• Log P: 1.0769806
• Molar Refractivity: 42.8327 cm^3
• Polarizability: 15.523696 Å^3
• Polar Surface Area: 72.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%