4-(3-Fluorophenyl)-2,2-dimethyl-4-oxobutanoic acid
[CAS# 898766-70-6]

Identification

• Name: 4-(3-Fluorophenyl)-2,2-dimethyl-4-oxobutanoic acid
• Synonyms: 2,2-dimethyl-4-(3-fluorophenyl)-4-oxobutyric acid
• Molecular Formula: C₁₂H₁₃FO₃
• Molecular Weight: 224.23
• CAS Registry Number: 898766-70-6
• SMILES: O=C(CC(C)(C)C(O)=O)c1cc(F)ccc1
• InChI: 1S/C12H13FO3/c1-12(2,11(15)16)7-10(14)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,15,16)
• InChIKey: UHAIYWHYNNTGTL-UHFFFAOYSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 371.352°C at 760 mmHg (Cal.)
• Flash point: 178.387°C (Cal.)
• Refractive index: 1.518 (Cal.)