Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(3-cyanophenyl)-, methyl ester

CAS Registry Number®

131515-51-0
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CAS Name

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(3-cyanophenyl)-, methyl ester

Molecular Formula

C14H13NO2

Molecular Mass

227.26

Cite this Page

Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(3-cyanophenyl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131515-51-0 (retrieved 2024-09-06) (CAS RN: 131515-51-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H13NO2/c1-17-12(16)14-7-13(8-14,9-14)11-4-2-3-10(5-11)6-15/h2-5H,7-9H2,1H3

InChIKey

InChIKey=AYURWPVRTLNNMQ-UHFFFAOYSA-N

SMILES

C(OC)(=O)C12CC(C1)(C2)C3=CC(C#N)=CC=C3

Canonical SMILES

N#CC1=CC=CC(=C1)C23CC(C(=O)OC)(C2)C3

Other Names for this Substance

  • Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(3-cyanophenyl)-, methyl ester
  • Methyl 3-(3-cyanophenyl)bicyclo[1.1.1]pentane-1-carboxylate