2-[2-(carboxymethoxy)ethoxy]acetic acid

• ChemBase ID: 294365
• Molecular Formular: C6H10O6
• Molecular Mass: 178.14
• Monoisotopic Mass: 178.04773804
• SMILES: O=C(O)COCCOCC(=O)O
• Canonical SMILES: OC(=O)COCCOCC(=O)O
• InChI: InChI=1S/C6H10O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
• InChIKey: CQWXKASOCUAEOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(carboxymethoxy)ethoxy]acetic acid
• IUPAC Traditional name: [2-(carboxymethoxy)ethoxy]acetic acid
• Synonyms: 3,6-Dioxaoctanedioic acid

Database IDs

• CAS Number: 23243-68-7
• MDL Number: MFCD00054502
• PubChem SID: 180679896
• PubChem CID: 90039

CALCULATED PROPERTIES

• Acid pKa: 3.1517196
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -4.9068627
• LogD (pH = 7.4): -7.673943
• Log P: -0.96645945
• Molar Refractivity: 36.2252 cm^3
• Polarizability: 14.53865 Å^3
• Polar Surface Area: 93.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%