ethyl 1-acetylcyclopropane-1-carboxylate

• ChemBase ID: 71414
• Molecular Formular: C8H12O3
• Molecular Mass: 156.17908
• Monoisotopic Mass: 156.07864424
• SMILES: CC(=O)C1(C(=O)OCC)CC1
• Canonical SMILES: CCOC(=O)C1(CC1)C(=O)C
• InChI: InChI=1S/C8H12O3/c1-3-11-7(10)8(4-5-8)6(2)9/h3-5H2,1-2H3
• InChIKey: DISZFIFAESWGBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-acetylcyclopropane-1-carboxylate
• IUPAC Traditional name: ethyl 1-acetylcyclopropane-1-carboxylate
• Synonyms: Ethyl 1-acetylcyclopropane-1-carboxylate

Database IDs

• CAS Number: 32933-03-2
• MDL Number: MFCD00480999
• PubChem SID: 162037004
• PubChem CID: 234183

CALCULATED PROPERTIES

• Acid pKa: 18.3559
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.136485
• LogD (pH = 7.4): 1.136485
• Log P: 1.136485
• Molar Refractivity: 39.3299 cm^3
• Polarizability: 15.617719 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: >95%