ethyl (2Z)-2-(N-hydroxyimino)-2-(pyrazin-2-yl)acetate

• ChemBase ID: 801331
• Molecular Formular: C8H9N3O3
• Molecular Mass: 195.17536
• Monoisotopic Mass: 195.06439116
• SMILES: O(C(=O)/C(=N\O)/c1cnccn1)CC
• Canonical SMILES: CCOC(=O)/C(=N\O)/c1cnccn1
• InChI: InChI=1S/C8H9N3O3/c1-2-14-8(12)7(11-13)6-5-9-3-4-10-6/h3-5,13H,2H2,1H3/b11-7-
• InChIKey: RONJGSYMXCERBD-XFFZJAGNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2Z)-2-(N-hydroxyimino)-2-(pyrazin-2-yl)acetate
• IUPAC Traditional name: ethyl (2Z)-2-(N-hydroxyimino)-2-(pyrazin-2-yl)acetate
• Synonyms: ETHYL (2Z)-(HYDROXYIMINO)(PYRAZIN-2-YL)ACETATE

CALCULATED PROPERTIES

• Acid pKa: 3.4129665
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.7263318
• LogD (pH = 7.4): -2.179501
• Log P: 0.18650807
• Molar Refractivity: 46.9093 cm^3
• Polarizability: 18.178621 Å^3
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%