2-(methoxyimino)acetic acid

• ChemBase ID: 248174
• Molecular Formular: C3H5NO3
• Molecular Mass: 103.0767
• Monoisotopic Mass: 103.02694303
• SMILES: C(=N\OC)/C(=O)O
• Canonical SMILES: CO/N=C/C(=O)O
• InChI: InChI=1S/C3H5NO3/c1-7-4-2-3(5)6/h2H,1H3,(H,5,6)
• InChIKey: MIHIJWOEDDPOLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methoxyimino)acetic acid
• IUPAC Traditional name: (methoxyimino)acetic acid
• Synonyms: 2-(methoxyimino)acetic acid

Database IDs

• MDL Number: MFCD12910513
• PubChem SID: 164304084
• PubChem CID: 11457668

CALCULATED PROPERTIES

• Acid pKa: 3.485854
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7515147
• LogD (pH = 7.4): -3.1257994
• Log P: 0.25376546
• Molar Refractivity: 21.804 cm^3
• Polarizability: 8.382744 Å^3
• Polar Surface Area: 58.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.411

Product Information

• Purity: 95%