α-Cyano-3,4-dimethoxybenzenepropanoic acid

CAS Registry Number®

55502-61-9
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CAS Name

α-Cyano-3,4-dimethoxybenzenepropanoic acid

Molecular Formula

C12H13NO4

Molecular Mass

235.24

Cite this Page

α-Cyano-3,4-dimethoxybenzenepropanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55502-61-9 (retrieved 2024-08-18) (CAS RN: 55502-61-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13NO4/c1-16-10-4-3-8(6-11(10)17-2)5-9(7-13)12(14)15/h3-4,6,9H,5H2,1-2H3,(H,14,15)

InChIKey

InChIKey=KKZDZTIKRNEPQG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanoic acid, α-cyano-3,4-dimethoxy-
  • α-Cyano-3,4-dimethoxybenzenepropanoic acid
  • 3,4-Dimethoxybenzylcyanoacetic acid
  • 2-Cyano-3-(3,4-dimethoxyphenyl)propionic acid
  • 2-Cyano-3-(3,4-dimethoxyphenyl)propanoic acid