3-(2-hydroxyethyl)-1,3-oxazolidin-2-one

• ChemBase ID: 111792
• Molecular Formular: C5H9NO3
• Molecular Mass: 131.12986
• Monoisotopic Mass: 131.05824315
• SMILES: OCCN1CCOC1=O
• Canonical SMILES: OCCN1CCOC1=O
• InChI: InChI=1S/C5H9NO3/c7-3-1-6-2-4-9-5(6)8/h7H,1-4H2
• InChIKey: GOXNUYXRIQJIEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-hydroxyethyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(2-hydroxyethyl)-1,3-oxazolidin-2-one
• Synonyms: 3-(2'-HYDROXYETHYL)-2-OXAZOLIDONE; 3-(2-hydroxyethyl)-1,3-oxazolidin-2-one

Database IDs

• CAS Number: 3356-88-5
• MDL Number: MFCD00037351
• PubChem SID: 162098121
• PubChem CID: 76887

CALCULATED PROPERTIES

• Acid pKa: 15.569796
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.825272
• LogD (pH = 7.4): -0.825272
• Log P: -0.825272
• Molar Refractivity: 30.2062 cm^3
• Polarizability: 11.859019 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.678

Safety Information

• RTECS: RQ2850000

Product Information

• Purity: 95%