2-[2-(4-Methylphenyl)-5-Oxo-1-Cyclopentenyl]Acetic acid
[CAS# 78977-89-6]

Identification

• Name: 2-[2-(4-Methylphenyl)-5-Oxo-1-Cyclopentenyl]Acetic acid
• Synonyms: 2-[5-Keto-2-(4-Methylphenyl)-1-Cyclopentenyl]Acetate; 2-[2-(4-Methylphenyl)-5-Oxo-1-Cyclopentenyl]Ethanoate; Zinc00318929
• Molecular Formula: C₁₄H₁₃O₃
• Molecular Weight: 229.25
• CAS Registry Number: 78977-89-6
• SMILES: C2=C(C1=C(C(=O)CC1)CC([O-])=O)C=CC(=C2)C
• InChI: 1S/C14H14O3/c1-9-2-4-10(5-3-9)11-6-7-13(15)12(11)8-14(16)17/h2-5H,6-8H2,1H3,(H,16,17)/p-1
• InChIKey: BALIATPFOUBDIU-UHFFFAOYSA-M

Properties

• Boiling point: 384.623°C at 760 mmHg (Cal.)
• Flash point: 200.585°C (Cal.)