4-(1-Oxobutyl)-1H-pyrrole-2-carboxylic acid

CAS Registry Number®

111468-95-2
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CAS Name

4-(1-Oxobutyl)-1H-pyrrole-2-carboxylic acid

Molecular Formula

C9H11NO3

Molecular Mass

181.19

Cite this Page

4-(1-Oxobutyl)-1H-pyrrole-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=111468-95-2 (retrieved 2024-04-27) (CAS RN: 111468-95-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    191-192 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C9H11NO3/c1-2-3-8(11)6-4-7(9(12)13)10-5-6/h4-5,10H,2-3H2,1H3,(H,12,13)

InChIKey

InChIKey=UONGLVQLBJRCSR-UHFFFAOYSA-N

SMILES

C(CCC)(=O)C=1C=C(C(O)=O)NC1

Canonical SMILES

O=C(O)C1=CC(=CN1)C(=O)CCC

Other Names for this Substance

  • 1H-Pyrrole-2-carboxylic acid, 4-(1-oxobutyl)-
  • 4-(1-Oxobutyl)-1H-pyrrole-2-carboxylic acid

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