1,2-oxazolidin-4-ol

• ChemBase ID: 309726
• Molecular Formular: C3H7NO2
• Molecular Mass: 89.09318
• Monoisotopic Mass: 89.04767847
• SMILES: N1OCC(C1)O
• Canonical SMILES: OC1CONC1
• InChI: InChI=1S/C3H7NO2/c5-3-1-4-6-2-3/h3-5H,1-2H2
• InChIKey: BBWJIHMTJCJDKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-oxazolidin-4-ol
• IUPAC Traditional name: 1,2-oxazolidin-4-ol
• Synonyms: 4-isoxazolidinol

Database IDs

• CAS Number: 82409-18-5
• MDL Number: MFCD19982734

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.96700966
• LogD (pH = 7.4): -0.94106066
• Log P: -0.9407195
• Molar Refractivity: 30.652 cm^3
• Polarizability: 8.425252 Å^3
• Polar Surface Area: 41.49 Å^2