1-[(4-Chlorophenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid

CAS Registry Number®

96449-92-2
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CAS Name

1-[(4-Chlorophenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid

Molecular Formula

C12H12ClNO3

Molecular Mass

253.68

Cite this Page

1-[(4-Chlorophenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=96449-92-2 (retrieved 2024-04-28) (CAS RN: 96449-92-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158-159 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H12ClNO3/c13-10-3-1-8(2-4-10)6-14-7-9(12(16)17)5-11(14)15/h1-4,9H,5-7H2,(H,16,17)

InChIKey

InChIKey=TUZRKETZXNMRCF-UHFFFAOYSA-N

SMILES

C(N1CC(C(O)=O)CC1=O)C2=CC=C(Cl)C=C2

Canonical SMILES

O=C(O)C1CC(=O)N(CC2=CC=C(Cl)C=C2)C1

Other Names for this Substance

  • 3-Pyrrolidinecarboxylic acid, 1-[(4-chlorophenyl)methyl]-5-oxo-
  • 1-[(4-Chlorophenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid
  • 1-(4-Chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid

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