sodium 2-hydroxyacetate

• ChemBase ID: 295238
• Molecular Formular: C2H3NaO3
• Molecular Mass: 98.03319
• Monoisotopic Mass: 97.99798824
• SMILES: C(C(=O)[O-])O.[Na+]
• Canonical SMILES: [O-]C(=O)CO.[Na+]
• InChI: InChI=1S/C2H4O3.Na/c3-1-2(4)5;/h3H,1H2,(H,4,5);/q;+1/p-1
• InChIKey: VILMUCRZVVVJCA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-hydroxyacetate
• IUPAC Traditional name: sodium glycolate
• Synonyms: Glycolic acid sodium salt; Sodium hydroxyacetate; Sodium glycolate; 羟基乙酸钠

Database IDs

• CAS Number: 2836-32-0
• EC Number: 220-624-9
• MDL Number: MFCD00065358
• PubChem SID: 180680769
• PubChem CID: 517347

CALCULATED PROPERTIES

• Acid pKa: 3.5263226
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.006948
• LogD (pH = 7.4): -4.40795
• Log P: -1.0405937
• Molar Refractivity: 25.183 cm^3
• Polarizability: 5.64681 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210-218°C

Safety Information

• RTECS: MC5525000
• TSCA Listed: 是

Product Information

• Purity: 97%