ethyl (2Z)-2-(N-hydroxyimino)-2-(3-methylpyridin-2-yl)acetate

• ChemBase ID: 801415
• Molecular Formular: C10H12N2O3
• Molecular Mass: 208.21388
• Monoisotopic Mass: 208.08479225
• SMILES: O(C(=O)/C(=N\O)/c1ncccc1C)CC
• Canonical SMILES: CCOC(=O)/C(=N\O)/c1ncccc1C
• InChI: InChI=1S/C10H12N2O3/c1-3-15-10(13)9(12-14)8-7(2)5-4-6-11-8/h4-6,14H,3H2,1-2H3/b12-9-
• InChIKey: ACRCILQMZBWBGA-XFXZXTDPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2Z)-2-(N-hydroxyimino)-2-(3-methylpyridin-2-yl)acetate
• IUPAC Traditional name: ethyl (2Z)-2-(N-hydroxyimino)-2-(3-methylpyridin-2-yl)acetate
• Synonyms: ETHYL (2Z)-(HYDROXYIMINO)(3-METHYLPYRIDIN-2-YL)ACETATE

CALCULATED PROPERTIES

• Acid pKa: 0.90427434
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.95654964
• LogD (pH = 7.4): -0.18538396
• Log P: 1.917602
• Molar Refractivity: 54.1074 cm^3
• Polarizability: 20.773155 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%