3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid

CAS Registry Number®

26180-28-9

CAS Name

3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid

Molecular Formula

C13H13NO2

Molecular Mass

215.25

Cite this Page

3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26180-28-9 (retrieved 2024-11-26) (CAS RN: 26180-28-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)

InChIKey

InChIKey=NJPUZFUOUGTNOV-UHFFFAOYSA-N

SMILES

CC=1N(C(C)=CC1)C2=CC(C(O)=O)=CC=C2

Canonical SMILES

O=C(O)C1=CC=CC(=C1)N2C(=CC=C2C)C

Other Names for this Substance

  • Benzoic acid, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-
  • Benzoic acid, m-(2,5-dimethylpyrrol-1-yl)-
  • 3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
  • 3-(2,5-Dimethylpyrrol-1-yl)benzoic acid
  • C 128773

View All

CAS INSIGHTSTM
Hourglass and a clock