2-hydroxyacetaldehyde

• ChemBase ID: 127595
• Molecular Formular: C2H4O2
• Molecular Mass: 60.05196
• Monoisotopic Mass: 60.02112937
• SMILES: O=CCO
• Canonical SMILES: OCC=O
• InChI: InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2
• InChIKey: WGCNASOHLSPBMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxyacetaldehyde
• IUPAC Traditional name: glycolaldehyde
• Synonyms: Glycolaldehyde

Database IDs

• CAS Number: 141-46-8
• PubChem SID: 162221914
• PubChem CID: 756
• CHEBI ID: 17071
• Chemspider ID: 736
• KEGG ID: C00266
• Wikipedia Title: Glycolaldehyde

CALCULATED PROPERTIES

• Acid pKa: 14.2323475
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.19921
• LogD (pH = 7.4): -1.19921
• Log P: -1.19921
• Molar Refractivity: 13.4205 cm^3
• Polarizability: 5.190642 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 131.3°C
• Density: 1.065 g/mL