3-Acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-1-propanoic acid

CAS Registry Number®

913837-60-2

CAS Name

3-Acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-1-propanoic acid

Molecular Formula

C16H16FNO3

Molecular Mass

289.30

Cite this Page

3-Acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-1-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=913837-60-2 (retrieved 2024-10-05) (CAS RN: 913837-60-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170-171 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H16FNO3/c1-10-14(11(2)19)9-15(18(10)8-7-16(20)21)12-3-5-13(17)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,20,21)

InChIKey

InChIKey=MWGNHLBNJGHFLI-UHFFFAOYSA-N

SMILES

C(CC(O)=O)N1C(=CC(C(C)=O)=C1C)C2=CC=C(F)C=C2

Canonical SMILES

O=C(O)CCN1C(=CC(C(=O)C)=C1C)C=2C=CC(F)=CC2

Other Names for this Substance

  • 1H-Pyrrole-1-propanoic acid, 3-acetyl-5-(4-fluorophenyl)-2-methyl-
  • 3-Acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-1-propanoic acid

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox