2-(2-methoxyethoxy)propanoic acid

• ChemBase ID: 274829
• Molecular Formular: C6H12O4
• Molecular Mass: 148.15708
• Monoisotopic Mass: 148.07355886
• SMILES: C(=O)(C(OCCOC)C)O
• Canonical SMILES: CC(C(=O)O)OCCOC
• InChI: InChI=1S/C6H12O4/c1-5(6(7)8)10-4-3-9-2/h5H,3-4H2,1-2H3,(H,7,8)
• InChIKey: JIXHYWCLUOGIMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)propanoic acid
• IUPAC Traditional name: 2-(2-methoxyethoxy)propanoic acid
• Synonyms: 2-(2-methoxyethoxy)propanoic acid

Database IDs

• MDL Number: MFCD09931004
• PubChem SID: 164330739
• PubChem CID: 9815219

CALCULATED PROPERTIES

• Acid pKa: 3.9723303
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.411743
• LogD (pH = 7.4): -3.0504036
• Log P: 0.124321476
• Molar Refractivity: 34.6345 cm^3
• Polarizability: 13.797927 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.078

Product Information

• Purity: 95%