ethyl 2-ethoxybenzoate

• ChemBase ID: 287228
• Molecular Formular: C11H14O3
• Molecular Mass: 194.22706
• Monoisotopic Mass: 194.09429431
• SMILES: O=C(OCC)c1ccccc1OCC
• Canonical SMILES: CCOC(=O)c1ccccc1OCC
• InChI: InChI=1S/C11H14O3/c1-3-13-10-8-6-5-7-9(10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
• InChIKey: OUZCDRGUTZLAGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-ethoxybenzoate
• IUPAC Traditional name: ethyl 2-ethoxybenzoate
• Synonyms: Ethyl 2-ethoxybenzoate

Database IDs

• CAS Number: 6290-24-0
• MDL Number: MFCD00142907
• PubChem SID: 180672759
• PubChem CID: 221644

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5326674
• LogD (pH = 7.4): 2.5326674
• Log P: 2.5326674
• Molar Refractivity: 54.0437 cm^3
• Polarizability: 20.950663 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%