4-[(2,5-Dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid

CAS Registry Number®

313701-95-0
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CAS Name

4-[(2,5-Dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid

Molecular Formula

C14H15NO2

Molecular Mass

229.27

Cite this Page

4-[(2,5-Dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=313701-95-0 (retrieved 2024-09-06) (CAS RN: 313701-95-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    171-175 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H15NO2/c1-10-3-4-11(2)15(10)9-12-5-7-13(8-6-12)14(16)17/h3-8H,9H2,1-2H3,(H,16,17)

InChIKey

InChIKey=DKSYSLOSBLCHEL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C1=CC=C(C=C1)CN2C(=CC=C2C)C

Other Names for this Substance

  • Benzoic acid, 4-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]-
  • 4-[(2,5-Dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid