2-(2-ethoxy-6-formylphenoxy)acetic acid

• ChemBase ID: 311740
• Molecular Formular: C11H12O5
• Molecular Mass: 224.20998
• Monoisotopic Mass: 224.06847348
• SMILES: c1(OCC(=O)O)c(C=O)cccc1OCC
• Canonical SMILES: CCOc1cccc(c1OCC(=O)O)C=O
• InChI: InChI=1S/C11H12O5/c1-2-15-9-5-3-4-8(6-12)11(9)16-7-10(13)14/h3-6H,2,7H2,1H3,(H,13,14)
• InChIKey: YPPIUPDVZUCYEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxy-6-formylphenoxy)acetic acid
• IUPAC Traditional name: 2-ethoxy-6-formylphenoxyacetic acid
• Synonyms: (2-ethoxy-6-formylphenoxy)acetic acid

Database IDs

• CAS Number: 141126-82-1
• MDL Number: MFCD03906073

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0638674
• LogD (pH = 7.4): -2.238693
• Log P: 1.2051969
• Molar Refractivity: 56.4016 cm^3
• Polarizability: 21.53962 Å^3
• Polar Surface Area: 72.83 Å^2