rel-(1R,2R)-2-(2-Cyanobenzoyl)cyclopentanecarboxylic acid

CAS Registry Number®

733740-85-7
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CAS Name

rel-(1R,2R)-2-(2-Cyanobenzoyl)cyclopentanecarboxylic acid

Molecular Formula

C14H13NO3

Molecular Mass

243.26

Cite this Page

rel-(1R,2R)-2-(2-Cyanobenzoyl)cyclopentanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=733740-85-7 (retrieved 2024-05-31) (CAS RN: 733740-85-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C14H13NO3/c15-8-9-4-1-2-5-10(9)13(16)11-6-3-7-12(11)14(17)18/h1-2,4-5,11-12H,3,6-7H2,(H,17,18)/t11-,12-/s2

InChIKey

InChIKey=ZFLWCWLNGYIOGT-XXCBQWOANA-N

SMILES

C(=O)([C@H]1[C@H](C(O)=O)CCC1)C2=C(C#N)C=CC=C2

Canonical SMILES

N#CC=1C=CC=CC1C(=O)C2CCCC2C(=O)O

Other Names for this Substance

  • Cyclopentanecarboxylic acid, 2-(2-cyanobenzoyl)-, (1R,2R)-rel-
  • rel-(1R,2R)-2-(2-Cyanobenzoyl)cyclopentanecarboxylic acid

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