2-(2-formyl-6-methoxyphenoxy)propanoic acid

• ChemBase ID: 311742
• Molecular Formular: C11H12O5
• Molecular Mass: 224.20998
• Monoisotopic Mass: 224.06847348
• SMILES: c1(OC(C(=O)O)C)c(C=O)cccc1OC
• Canonical SMILES: COc1cccc(c1OC(C(=O)O)C)C=O
• InChI: InChI=1S/C11H12O5/c1-7(11(13)14)16-10-8(6-12)4-3-5-9(10)15-2/h3-7H,1-2H3,(H,13,14)
• InChIKey: DXXCAUDRFSLKGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-formyl-6-methoxyphenoxy)propanoic acid
• IUPAC Traditional name: 2-(2-formyl-6-methoxyphenoxy)propanoic acid
• Synonyms: 2-(2-formyl-6-methoxyphenoxy)propanoic acid

Database IDs

• CAS Number: 590395-57-6
• MDL Number: MFCD04083021

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.89458543
• LogD (pH = 7.4): -2.034533
• Log P: 1.4171532
• Molar Refractivity: 56.1469 cm^3
• Polarizability: 21.539623 Å^3
• Polar Surface Area: 72.83 Å^2