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

• ChemBase ID: 297502
• Molecular Formular: C12H14O5
• Molecular Mass: 238.23656
• Monoisotopic Mass: 238.08412355
• SMILES: CCOC(=O)COc1ccc(cc1OC)C=O
• Canonical SMILES: CCOC(=O)COc1ccc(cc1OC)C=O
• InChI: InChI=1S/C12H14O5/c1-3-16-12(14)8-17-10-5-4-9(7-13)6-11(10)15-2/h4-7H,3,8H2,1-2H3
• InChIKey: SVYWLZTVBMJCGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
• IUPAC Traditional name: ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
• Synonyms: (4-Formyl-2-methoxyphenoxy)acetic acid ethyl ester; Ethyl (4-formyl-2-methoxyphenoxy)acetate; ethyl (4-formyl-2-methoxyphenoxy)acetate; 4-甲酰基-2-甲氧基苯氧基醋酸乙酯

Database IDs

• CAS Number: 51264-70-1
• MDL Number: MFCD01764358
• PubChem SID: 180683033
• PubChem CID: 968872

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: 23.604914 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否