methyl 2-hydroxy-2-methoxyacetate

• ChemBase ID: 294283
• Molecular Formular: C4H8O4
• Molecular Mass: 120.10392
• Monoisotopic Mass: 120.04225874
• SMILES: COC(O)C(=O)OC
• Canonical SMILES: COC(=O)C(OC)O
• InChI: InChI=1S/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3
• InChIKey: OVJJVYHDJVQFSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-hydroxy-2-methoxyacetate
• IUPAC Traditional name: methyl 2-hydroxy-2-methoxyacetate
• Synonyms: Methyl 2-hydroxy-2-methoxyacetate

Database IDs

• CAS Number: 19757-97-2
• MDL Number: MFCD00043941
• PubChem SID: 180679814
• PubChem CID: 2724791

CALCULATED PROPERTIES

• Acid pKa: 9.944024
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5403285
• LogD (pH = 7.4): -0.5415508
• Log P: -0.5403129
• Molar Refractivity: 25.0646 cm^3
• Polarizability: 10.349089 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%