ethyl (2E)-2-(ethoxyimino)acetate

• ChemBase ID: 180527
• Molecular Formular: C6H11NO3
• Molecular Mass: 145.15644
• Monoisotopic Mass: 145.07389322
• SMILES: C(=O)(/C=N/OCC)OCC
• Canonical SMILES: CCO/N=C/C(=O)OCC
• InChI: InChI=1S/C6H11NO3/c1-3-9-6(8)5-7-10-4-2/h5H,3-4H2,1-2H3/b7-5+
• InChIKey: OOGIESXDYGABFG-FNORWQNLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2E)-2-(ethoxyimino)acetate
• IUPAC Traditional name: ethyl (2E)-2-(ethoxyimino)acetate
• Synonyms: Ethyl ethoxyiminoacetate

Database IDs

• CAS Number: 816-27-3
• PubChem SID: 164236437
• PubChem CID: 14307415

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3466086
• LogD (pH = 7.4): 1.3466088
• Log P: 1.3466088
• Molar Refractivity: 36.0703 cm^3
• Polarizability: 14.036099 Å^3
• Polar Surface Area: 47.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true