ethyl 2-(5-methoxypyrazin-2-yl)acetate

• ChemBase ID: 814435
• Molecular Formular: C9H12N2O3
• Molecular Mass: 196.20318
• Monoisotopic Mass: 196.08479225
• SMILES: O(C(=O)Cc1cnc(cn1)OC)CC
• Canonical SMILES: CCOC(=O)Cc1cnc(cn1)OC
• InChI: InChI=1S/C9H12N2O3/c1-3-14-9(12)4-7-5-11-8(13-2)6-10-7/h5-6H,3-4H2,1-2H3
• InChIKey: YEQLCPUYWCFPFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(5-methoxypyrazin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(5-methoxypyrazin-2-yl)acetate
• Synonyms: ethyl 2-(5-methoxypyrazin-2-yl)acetate

Database IDs

• CAS Number: 1196155-42-6

CALCULATED PROPERTIES

• Acid pKa: 19.691683
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5009874
• LogD (pH = 7.4): 0.5009878
• Log P: 0.5009878
• Molar Refractivity: 48.9742 cm^3
• Polarizability: 19.246778 Å^3
• Polar Surface Area: 61.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%