(Z)-N-hydroxyethenimidic acid

• ChemBase ID: 286749
• Molecular Formular: C2H5NO2
• Molecular Mass: 75.0666
• Monoisotopic Mass: 75.03202841
• SMILES: C/C(=N/O)/O
• Canonical SMILES: O/N=C(\O)/C
• InChI: InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
• InChIKey: RRUDCFGSUDOHDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-hydroxyethenimidic acid
• IUPAC Traditional name: (Z)-N-hydroxyethenimidic acid
• Synonyms: Acetohydroxamic acid

Database IDs

• CAS Number: 546-88-3
• MDL Number: MFCD00009994
• PubChem SID: 180672280
• PubChem CID: 1990

CALCULATED PROPERTIES

• Acid pKa: 5.384816
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.5763303
• LogD (pH = 7.4): -2.220322
• Log P: -0.21386592
• Molar Refractivity: 16.7522 cm^3
• Polarizability: 6.6161957 Å^3
• Polar Surface Area: 52.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%