3-[1-Cyano-2-methyl-1-(1-methylethyl)propyl]benzoic acid

CAS Registry Number®

1227268-82-7

CAS Name

3-[1-Cyano-2-methyl-1-(1-methylethyl)propyl]benzoic acid

Molecular Formula

C15H19NO2

Molecular Mass

245.32

Cite this Page

3-[1-Cyano-2-methyl-1-(1-methylethyl)propyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1227268-82-7 (retrieved 2024-10-06) (CAS RN: 1227268-82-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H19NO2/c1-10(2)15(9-16,11(3)4)13-7-5-6-12(8-13)14(17)18/h5-8,10-11H,1-4H3,(H,17,18)

InChIKey

InChIKey=XQFRYVWYMHNMTL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC(C=1C=CC=C(C1)C(=O)O)(C(C)C)C(C)C

Other Names for this Substance

  • Benzoic acid, 3-[1-cyano-2-methyl-1-(1-methylethyl)propyl]-
  • 3-[1-Cyano-2-methyl-1-(1-methylethyl)propyl]benzoic acid

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