3-(3-Methylphenyl)-1,2,4-oxadiazole-5-propanoic acid

CAS Registry Number®

94192-16-2

CAS Name

3-(3-Methylphenyl)-1,2,4-oxadiazole-5-propanoic acid

Molecular Formula

C12H12N2O3

Molecular Mass

232.24

Cite this Page

3-(3-Methylphenyl)-1,2,4-oxadiazole-5-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94192-16-2 (retrieved 2024-12-20) (CAS RN: 94192-16-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    100-101 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H12N2O3/c1-8-3-2-4-9(7-8)12-13-10(17-14-12)5-6-11(15)16/h2-4,7H,5-6H2,1H3,(H,15,16)

InChIKey

InChIKey=XODDCJFEBMABKW-UHFFFAOYSA-N

SMILES

C(CC(O)=O)C1=NC(=NO1)C2=CC(C)=CC=C2

Canonical SMILES

O=C(O)CCC1=NC(=NO1)C=2C=CC=C(C2)C

Other Names for this Substance

  • 1,2,4-Oxadiazole-5-propanoic acid, 3-(3-methylphenyl)-
  • 3-(3-Methylphenyl)-1,2,4-oxadiazole-5-propanoic acid
  • 3-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]propionic acid

CAS INSIGHTSTM
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