2-(5-formyl-2-methoxyphenoxy)acetic acid

• ChemBase ID: 311760
• Molecular Formular: C10H10O5
• Molecular Mass: 210.1834
• Monoisotopic Mass: 210.05282342
• SMILES: c1(OCC(=O)O)c(ccc(c1)C=O)OC
• Canonical SMILES: COc1ccc(cc1OCC(=O)O)C=O
• InChI: InChI=1S/C10H10O5/c1-14-8-3-2-7(5-11)4-9(8)15-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
• InChIKey: GCUIYKXCCXKSRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-formyl-2-methoxyphenoxy)acetic acid
• IUPAC Traditional name: 5-formyl-2-methoxyphenoxyacetic acid
• Synonyms: (5-formyl-2-methoxyphenoxy)acetic acid

Database IDs

• CAS Number: 19728-22-4
• MDL Number: MFCD04336654

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.5658075
• LogD (pH = 7.4): -2.619586
• Log P: 0.8483889
• Molar Refractivity: 51.653 cm^3
• Polarizability: 19.714676 Å^3
• Polar Surface Area: 72.83 Å^2