2-(2-ethoxyethoxy)propanoic acid

• ChemBase ID: 262020
• Molecular Formular: C7H14O4
• Molecular Mass: 162.18366
• Monoisotopic Mass: 162.08920893
• SMILES: C(=O)(C(OCCOCC)C)O
• Canonical SMILES: CC(C(=O)O)OCCOCC
• InChI: InChI=1S/C7H14O4/c1-3-10-4-5-11-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
• InChIKey: QMBSJPZHUJCMJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09933427
• PubChem SID: 164317930
• PubChem CID: 6328572

CALCULATED PROPERTIES

• Acid pKa: 4.0802116
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.95151144
• LogD (pH = 7.4): -2.6301434
• Log P: 0.48112944
• Molar Refractivity: 39.3831 cm^3
• Polarizability: 15.614053 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.311

Product Information

• Purity: 95%