4-(1-Cyano-1-methylethyl)benzoic acid

CAS Registry Number®

129488-74-0

CAS Name

4-(1-Cyano-1-methylethyl)benzoic acid

Molecular Formula

C11H11NO2

Molecular Mass

189.21

Cite this Page

4-(1-Cyano-1-methylethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=129488-74-0 (retrieved 2024-11-21) (CAS RN: 129488-74-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172-178 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C11H11NO2/c1-11(2,7-12)9-5-3-8(4-6-9)10(13)14/h3-6H,1-2H3,(H,13,14)

InChIKey

InChIKey=MAVFXLXXHAMJTB-UHFFFAOYSA-N

SMILES

C(C#N)(C)(C)C1=CC=C(C(O)=O)C=C1

Canonical SMILES

N#CC(C1=CC=C(C=C1)C(=O)O)(C)C

Other Names for this Substance

  • Benzoic acid, 4-(1-cyano-1-methylethyl)-
  • 4-(1-Cyano-1-methylethyl)benzoic acid
  • 4-(2-Cyanopropan-2-yl)benzoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration