ethyl 2-(hydroxyimino)acetate

• ChemBase ID: 108400
• Molecular Formular: C4H7NO3
• Molecular Mass: 117.10328
• Monoisotopic Mass: 117.04259309
• SMILES: CCOC(=O)/C=N/O
• Canonical SMILES: CCOC(=O)/C=N/O
• InChI: InChI=1S/C4H7NO3/c1-2-8-4(6)3-5-7/h3,7H,2H2,1H3
• InChIKey: MWOBRJZWNNCTSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(hydroxyimino)acetate
• IUPAC Traditional name: ethyl 2-(hydroxyimino)acetate
• Synonyms: ETHYL α-ISONITROSOACETATE

Database IDs

• PubChem SID: 162105749
• PubChem CID: 9601339

CALCULATED PROPERTIES

• Acid pKa: 5.5353026
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3297802
• LogD (pH = 7.4): -1.1422011
• Log P: 0.61184007
• Molar Refractivity: 26.8394 cm^3
• Polarizability: 10.405807 Å^3
• Polar Surface Area: 58.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207219

MP Biomedicals Rare Chemical collection