ethyl 2-cyclopropyl-2-oxoacetate

• ChemBase ID: 310022
• Molecular Formular: C7H10O3
• Molecular Mass: 142.1525
• Monoisotopic Mass: 142.06299418
• SMILES: C(=O)(C1CC1)C(=O)OCC
• Canonical SMILES: CCOC(=O)C(=O)C1CC1
• InChI: InChI=1S/C7H10O3/c1-2-10-7(9)6(8)5-3-4-5/h5H,2-4H2,1H3
• InChIKey: AIXRDYQKFOHJBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-cyclopropyl-2-oxoacetate
• IUPAC Traditional name: ethyl 2-cyclopropyl-2-oxoacetate
• Synonyms: ethyl cyclopropyl(oxo)acetate

Database IDs

• MDL Number: MFCD22575220

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5817056
• LogD (pH = 7.4): 1.5817056
• Log P: 1.5817056
• Molar Refractivity: 34.9066 cm^3
• Polarizability: 13.792176 Å^3
• Polar Surface Area: 43.37 Å^2