2-(4-formyl-2,6-dimethoxyphenoxy)acetic acid

• ChemBase ID: 311752
• Molecular Formular: C11H12O6
• Molecular Mass: 240.20938
• Monoisotopic Mass: 240.0633881
• SMILES: c1(c(cc(cc1OC)C=O)OC)OCC(=O)O
• Canonical SMILES: COc1cc(C=O)cc(c1OCC(=O)O)OC
• InChI: InChI=1S/C11H12O6/c1-15-8-3-7(5-12)4-9(16-2)11(8)17-6-10(13)14/h3-5H,6H2,1-2H3,(H,13,14)
• InChIKey: NNJAVTAELGZGLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-formyl-2,6-dimethoxyphenoxy)acetic acid
• IUPAC Traditional name: 4-formyl-2,6-dimethoxyphenoxyacetic acid
• Synonyms: (4-formyl-2,6-dimethoxyphenoxy)acetic acid

Database IDs

• CAS Number: 812642-73-2
• MDL Number: MFCD05625240

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.8086792
• LogD (pH = 7.4): -2.788495
• Log P: 0.6907177
• Molar Refractivity: 58.1162 cm^3
• Polarizability: 22.274113 Å^3
• Polar Surface Area: 82.06 Å^2