N-hydroxypropanamide

• ChemBase ID: 123293
• Molecular Formular: C3H7NO2
• Molecular Mass: 89.09318
• Monoisotopic Mass: 89.04767847
• SMILES: C(=O)(NO)CC
• Canonical SMILES: CCC(=O)NO
• InChI: InChI=1S/C3H7NO2/c1-2-3(5)4-6/h6H,2H2,1H3,(H,4,5)
• InChIKey: RSIPQHOWTCNEBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxypropanamide
• IUPAC Traditional name: propionohydroxamic acid
• Synonyms: N-hydroxypropionamide

Database IDs

• PubChem SID: 162217646
• PubChem CID: 75743

CALCULATED PROPERTIES

• Acid pKa: 8.910467
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.33310217
• LogD (pH = 7.4): -0.34607527
• Log P: -0.3329342
• Molar Refractivity: 20.8574 cm^3
• Polarizability: 8.1675 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true