ethyl 2-(2-formyl-6-methoxyphenoxy)acetate

• ChemBase ID: 34932
• Molecular Formular: C12H14O5
• Molecular Mass: 238.23656
• Monoisotopic Mass: 238.08412355
• SMILES: c1(OCC(=O)OCC)c(C=O)cccc1OC
• Canonical SMILES: CCOC(=O)COc1c(OC)cccc1C=O
• InChI: InChI=1S/C12H14O5/c1-3-16-11(14)8-17-12-9(7-13)5-4-6-10(12)15-2/h4-7H,3,8H2,1-2H3
• InChIKey: RGWBICWDTDHCGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2-formyl-6-methoxyphenoxy)acetate
• IUPAC Traditional name: ethyl 2-(2-formyl-6-methoxyphenoxy)acetate
• Synonyms: Ethyl (2-formyl-6-methoxyphenoxy)acetate

Database IDs

• MDL Number: MFCD03945805
• PubChem SID: 160998239
• PubChem CID: 2229635

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3510909
• LogD (pH = 7.4): 1.3510909
• Log P: 1.3510909
• Molar Refractivity: 61.1707 cm^3
• Polarizability: 23.607334 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false