4-Cyano-β,β-dimethylbenzenepropanoic acid

CAS Registry Number®

42288-07-3
No image available.

CAS Name

4-Cyano-β,β-dimethylbenzenepropanoic acid

Molecular Formula

C12H13NO2

Molecular Mass

203.24

Cite this Page

4-Cyano-β,β-dimethylbenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42288-07-3 (retrieved 2024-08-13) (CAS RN: 42288-07-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    98 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H13NO2/c1-12(2,7-11(14)15)10-5-3-9(8-13)4-6-10/h3-6H,7H2,1-2H3,(H,14,15)

InChIKey

InChIKey=SRTBNQCQJHVOQQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=C(C=C1)C(C)(C)CC(=O)O

Other Names for this Substance

  • Benzenepropanoic acid, 4-cyano-β,β-dimethyl-
  • Hydrocinnamic acid, p-cyano-β,β-dimethyl-
  • 4-Cyano-β,β-dimethylbenzenepropanoic acid