2-[3-Chloro-4-(methylsulfonyl)phenyl]-3-(2-oxocyclopentyl)propanoic acid
[CAS# 625113-61-3]

Identification

• Name: 2-[3-Chloro-4-(methylsulfonyl)phenyl]-3-(2-oxocyclopentyl)propanoic acid
• Synonyms: (R)-2-(3-Chloro-4-methanesulfonylphenyl)-3-(2-oxocyclopentyl)propionic acid; 2-(3-Chloro-4-methanesulfonyl-phenyl)-3-(2-oxo-cyclopentyl)-propionic acid; 2-(3-CHLORO-4-METHANESULFONYL-PHENYL)-3-(2-OXO-CYCLOPENTYL)-PROPIONICACID
• Molecular Formula: C₁₅H₁₇ClO₅S
• Molecular Weight: 344.81
• CAS Registry Number: 625113-61-3
• SMILES: O=C2CCCC2CC(C(O)=O)c1ccc(c(Cl)c1)S(C)(=O)=O
• InChI: 1S/C15H17ClO5S/c1-22(20,21)14-6-5-9(8-12(14)16)11(15(18)19)7-10-3-2-4-13(10)17/h5-6,8,10-11H,2-4,7H2,1H3,(H,18,19)
• InChIKey: PGXGGUSHFUXQHF-UHFFFAOYSA-N

Properties

• Density: 1.384g/cm³ (Cal.)
• Boiling point: 566.789°C at 760 mmHg (Cal.)
• Flash point: 296.584°C (Cal.)
• Refractive index: 1.57 (Cal.)