2-ethoxypropanoic acid

• ChemBase ID: 257484
• Molecular Formular: C5H10O3
• Molecular Mass: 118.1311
• Monoisotopic Mass: 118.06299418
• SMILES: C(=O)(C(OCC)C)O
• Canonical SMILES: CC(C(=O)O)OCC
• InChI: InChI=1S/C5H10O3/c1-3-8-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
• InChIKey: XBHQOMRKOUANQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxypropanoic acid
• IUPAC Traditional name: 2-ethoxypropanoic acid
• Synonyms: 2-ethoxypropanoic acid

Database IDs

• CAS Number: 53103-75-6
• MDL Number: MFCD09940775
• PubChem SID: 164313394
• PubChem CID: 15268841

CALCULATED PROPERTIES

• Acid pKa: 4.142154
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.84547144
• LogD (pH = 7.4): -2.5438638
• Log P: 0.52810496
• Molar Refractivity: 28.3396 cm^3
• Polarizability: 11.2225 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.667

Product Information

• Purity: 95%