2-(4-formyl-2-methoxyphenoxy)ethyl acetate

• ChemBase ID: 311974
• Molecular Formular: C12H14O5
• Molecular Mass: 238.23656
• Monoisotopic Mass: 238.08412355
• SMILES: c1(c(ccc(c1)C=O)OCCOC(=O)C)OC
• Canonical SMILES: COc1cc(C=O)ccc1OCCOC(=O)C
• InChI: InChI=1S/C12H14O5/c1-9(14)16-5-6-17-11-4-3-10(8-13)7-12(11)15-2/h3-4,7-8H,5-6H2,1-2H3
• InChIKey: PERBZSCRIFTMMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-formyl-2-methoxyphenoxy)ethyl acetate
• IUPAC Traditional name: 2-(4-formyl-2-methoxyphenoxy)ethyl acetate
• Synonyms: 2-(4-formyl-2-methoxyphenoxy)ethyl acetate

Database IDs

• CAS Number: 692275-82-4
• MDL Number: MFCD02380339

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1214291
• LogD (pH = 7.4): 1.1214291
• Log P: 1.1214291
• Molar Refractivity: 61.0122 cm^3
• Polarizability: 23.605267 Å^3
• Polar Surface Area: 61.83 Å^2