5-Oxo-1-o-Tolyl-Pyrrolidine-3-Carboxylic Acid
[CAS# 56617-44-8]

Identification

• Name: 5-Oxo-1-o-Tolyl-Pyrrolidine-3-Carboxylic Acid
• Synonyms: (3S)-1-(2-Methylphenyl)-5-Oxo-Pyrrolidine-3-Carboxylate; (3S)-1-(2-Methylphenyl)-5-Oxo-3-Pyrrolidinecarboxylate; (3S)-5-Keto-1-(2-Methylphenyl)Pyrrolidine-3-Carboxylate
• Molecular Formula: C₁₂H₁₂NO₃
• Molecular Weight: 218.23
• CAS Registry Number: 56617-44-8
• SMILES: [C@H]1(CN(C(=O)C1)C2=C(C=CC=C2)C)C([O-])=O
• InChI: 1S/C12H13NO3/c1-8-4-2-3-5-10(8)13-7-9(12(15)16)6-11(13)14/h2-5,9H,6-7H2,1H3,(H,15,16)/p-1/t9-/m0/s1
• InChIKey: GWCVJEVNUIDHPH-VIFPVBQESA-M

Properties

• Boiling point: 522.047°C at 760 mmHg (Cal.)
• Flash point: 269.525°C (Cal.)