4-Chloro-4-methyl-3-oxo-5-hexenoic acid
[CAS# 853921-40-1]

Identification

• Name: 4-Chloro-4-methyl-3-oxo-5-hexenoic acid
• Synonyms: 4-chloro-4-methyl-3-oxohex-5-enoic acid
• Molecular Formula: C₇H₉ClO₃
• Molecular Weight: 176.60
• CAS Registry Number: 853921-40-1
• SMILES: CC(C=C)(C(=O)CC(=O)O)Cl
• InChI: 1S/C7H9ClO3/c1-3-7(2,8)5(9)4-6(10)11/h3H,1,4H2,2H3,(H,10,11)
• InChIKey: VDQGTQXVGWHYGQ-UHFFFAOYSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 298.769°C at 760 mmHg (Cal.)
• Flash point: 134.491°C (Cal.)
• Refractive index: 1.482 (Cal.)